SCHEMBL3446041

SCHEMBL3446041

O=c1ccc2cc3ccoc3c(OCCCBr)c2o1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.78
▸ KCNA3 P22001 6/20 0.71
▸ KCNA5 P22460 4/20 0.71
▸ CYP3A4 P08684 5/20 0.62
▸ CYP2D6 P10635 2/20 0.62
▸ CYP2A6 P11509 2/20 0.62
▸ ACHE P22303 2/20 0.62
▸ CYP2C19 P33261 2/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ CYP2A13 Q16696 1/20 0.62
▸ ALDH1A1 P00352 4/20 0.60
▸ BACE1 P56817 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ ABCB1 P08183 1/20 0.60
▸ CYP1B1 Q16678 1/20 0.60
▸ RECQL P46063 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17373028 0.88 MAOA (1.00) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788617 0.86 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL6709622 0.86 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL10491029 0.86 MAOA (0.78) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL9184365 0.85 MAOA (0.76) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL6751059 0.84 MAOA (0.74) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788619 0.84 MAOA (0.74) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL18788613 0.84 MAOA (0.74) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL23355290 0.83 MAOA (0.73) MAOAKCNA3KCNA5CYP3A4CYP2D6
SCHEMBL31546585 0.83 MAOA (0.77) MAOAKCNA3KCNA5CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001053301-A1 CHIMERIC MOLECULES CONSISTING OF PSORALEN AND RETINOID, PREPARATION METHOD, USES THEREOF FOR TREATING CELL HYPERPROLIFERATION PATHOLOGIES AND IN PARTICULAR PSORIASIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-07-26 — — WO claimed
EP-3838904-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES Immunolight, LLC (US) 2021-06-23 — — EP disclosed
EP-3838904-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES Immunolight, LLC (US) 2021-06-23 — — EP disclosed
EP-3157519-B1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT LLC (US) 2021-05-12 — — EP disclosed
EP-3157519-B1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT LLC (US) 2021-05-12 — — EP disclosed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — US disclosed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — US disclosed
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2018-06-21 — — US disclosed
US-20170113061-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2017-04-27 — — US disclosed
US-20170113061-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2017-04-27 — — US disclosed
US-20100266621-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES DUKE UNIVERSITY (US) 2010-10-21 — — US disclosed
US-20100266621-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES DUKE UNIVERSITY (US) 2010-10-21 — — US disclosed
US-20020182581-A1 Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group CERUS CORPORATION (US) 2002-12-05 — — US disclosed
US-6410219-B1 DECTIONN OF PATHOGEN DEACTION OF PATHOGEN BY COMPLEXING CERUS CORPORATION 2002-06-25 — — US disclosed
WO-2001053301-A1 CHIMERIC MOLECULES CONSISTING OF PSORALEN AND RETINOID, PREPARATION METHOD, USES THEREOF FOR TREATING CELL HYPERPROLIFERATION PATHOLOGIES AND IN PARTICULAR PSORIASIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2001-07-26 — — WO disclosed
US-6171777-B1 DECONTAMINATING BY CONTACTING WITH COMPOUND, THEN RECOVERING PRODUCT; DEACTIVATES HUMAN IMMUNODEFICIENCY AND HEPATITIS VIRUSES; BEFORE TRANSFUSIONS OR CLINICAL TESTS CERUS CORPORATION 2001-01-09 — — US disclosed
US-6143490-A IN VITRO METHOD FOR DEACTIVATION OF VIRAL, BACTERIAL, OR PROTOZOAN PATHOGEN BY ADDING COMPOUND CONSISTING OF INTERCALATOR NUCLEIC ACID BINDING LIGAND AND AN ATTACHED MUSTARD GROUP, TREATING THE MIXTURE, AND RECOVERING BLOOD CERUS CORPORATION (US) 2000-11-07 — — US disclosed
EP-0773716-A4 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS CERUS CORP (US) 1999-08-04 — — EP disclosed
EP-0773716-A1 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS Cerus Corporation (US) 1997-05-21 — — EP disclosed
WO-1996039818-A1 TREATING RED BLOOD CELL SOLUTIONS WITH ANTI-VIRAL AGENTS CERUS CORPORATION (US) 1996-12-19 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100266621-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES CDK20, NFATC1, CDK10 MAOA 662/4885KCNA3 3066/4885KCNA5 3690/4885
US-20020182581-A1 Treating blood or blood products with compounds which have a mustard, aziridinium or aziridine group and a nucleic acid binding group ADAR, CD99, AAAS MAOA 3813/4885KCNA3 4880/4885KCNA5 4879/4885
US-20170113061-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, CDK20 MAOA 1698/4885KCNA3 4765/4885KCNA5 4037/4885
US-20180169433-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES NFATC1, CDK10, PDCD10 MAOA 1133/4885KCNA3 4811/4885KCNA5 4175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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