Sugi Predict

Sugi Predict / Compounds / SCHEMBL3016749

SCHEMBL3016749

SCHEMBL3016749

NC(=O)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 15/20 0.79
▸ PARP15 Q460N3 4/20 0.79
▸ PARP14 Q460N5 3/20 0.79
▸ PARP4 Q9UKK3 2/20 0.79
▸ ALDH1A1 P00352 1/20 0.79
▸ KMT2A Q03164 1/20 0.79
▸ PARP16 Q8N5Y8 1/20 0.79
▸ PARP11 Q9NR21 1/20 0.79
▸ MAOB P27338 1/20 0.64
▸ PARP3 Q9Y6F1 1/20 0.61
▸ PARP2 Q9UGN5 3/20 0.59
▸ TNKS O95271 1/20 0.59
▸ TNKS2 Q9H2K2 1/20 0.59
▸ PARP1 P09874 2/20 0.55
▸ CA1 P00915 1/20 0.55
▸ CA2 P00918 1/20 0.55
▸ SCN4A P35499 1/20 0.54
▸ SCN9A Q15858 1/20 0.54
▸ CHEK2 O96017 1/20 0.54
▸ F2 P00734 1/20 0.53

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
SCHEMBL3314857 0.89 PARP10 (0.63) PARP10PARP15PARP14PARP4ALDH1A1
Fumaric Acid SCHEMBL3023454 0.89 PARP10 (0.63) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3137816 0.89 PARP10 (1.00) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL52708 0.87 CES2 (0.62) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL12441973 0.87 CES2 (0.62) PARP10PARP15PARP14PARP4ALDH1A1
SCHEMBL3701690 0.85 OPRM1 (0.63) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL2859581 0.84 CES2 (0.59) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL3845508 0.84 CES2 (0.59) PARP10PARP15PARP14PARP4ALDH1A1
Bromide SCHEMBL27321813 0.84 CES2 (0.59) PARP10PARP15PARP14PARP4ALDH1A1
Hydrochloric Acid SCHEMBL4375910 0.84 CES2 (0.59) PARP10PARP15PARP14PARP4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182050-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2005-08-18 — — US claimed
US-6812225-B2 PYSCHOLOGICAL DISORDERS; ANTIDEPRESSANTS ASTRAZENECA AB (SE) 2004-11-02 — — US claimed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US claimed
WO-1994005642-A1 INDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 — — WO claimed
CN-115894497-A Imidazopyrimidine compounds, and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2023-04-04 — — CN disclosed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 — — WO disclosed
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 — — US disclosed
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS VERNALIS (R&D) LIMITED (GB) 2010-04-29 — — US disclosed
EP-1933830-A1 ANTAGONISTS OF SNS SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-06-25 — — EP disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 — — EP disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 — — US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 — — US disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 — — WO disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 — — WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 — — US disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 — — WO disclosed
WO-1994005642-A1 INDAZOLE DERIVATIVES CIBA-GEIGY AG (CH) 1994-03-17 — — 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 (5 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D PARP10 1374/4885PARP15 1933/4885PARP14 1974/4885
US-20100105651-A1 ANTAGONISTS OF SNS SODIUM CHANNELS CNR1, OPRL1, CHRNA10 PARP10 3132/4885PARP15 3852/4885PARP14 4065/4885
US-20050182050-A1 Therapeutic heterocyclic compounds HTR1B, HTR1D, HTR1A PARP10 2519/4885PARP15 2737/4885PARP14 2726/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B PARP10 2526/4885PARP15 2775/4885PARP14 2711/4885
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A PARP10 3946/4885PARP15 4202/4885PARP14 4249/4885

“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.