Sugi Predict

Sugi Predict / Compounds / SCHEMBL168585

SCHEMBL168585

SCHEMBL168585

O=CCc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ AKR1B1 P15121 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ADRA2A P08913 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ MAOA P21397 1/20 0.38

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
SCHEMBL29569478 0.85 TAAR1 (0.55) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL1238697 0.85 TSHR (0.45) KMT2AALDH1A1MEN1TDP1AKR1B1
SCHEMBL23507137 0.85 P2RX7 (0.40) KMT2AALDH1A1MEN1TDP1AKR1B1
SCHEMBL5071067 0.85 AKR1B1 (0.44) KMT2AALDH1A1MEN1TDP1AKR1B1
SCHEMBL1460113 0.85 TAAR1 (0.55) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL31464089 0.80 CYP2A6 (0.50) KMT2AALDH1A1MEN1TDP1AKR1B1
SCHEMBL4438369 0.79 ALDH1A1 (0.49) KMT2AALDH1A1MEN1TDP1SMN1; SMN2
SCHEMBL97848 0.76 TAAR1 (0.52) KMT2AALDH1A1MEN1TDP1AKR1B1
SCHEMBL1238273 0.75 ALDH1A1 (0.39) KMT2AALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL1589868 0.75 ERN1 (0.40) KMT2AALDH1A1MEN1TDP1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12006294-B2 Therapeutic compounds REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2024-06-11 — — US disclosed
CN-111971282-B Pyrazolotetrahydroisoquinoline derivatives as dopamine D1 receptor positive modulators 伊莱利利公司 2024-03-19 — — CN disclosed
CN-117177970-A Polycyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-12-05 — — CN disclosed
CN-116601146-A Phenyl-3, 4-dihydroisoquinolin-2 (1H) -yl-ethan-1-one derivatives as positive allosteric modulators of dopamine D1 receptor 伊莱利利公司 2023-08-15 — — CN disclosed
WO-2022228490-A1 POLYCYCLIC DERIVATIVE MODULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2022-11-03 — — WO disclosed
WO-2021060395-A1 SUSTAINED-RELEASE PHARMACEUTICAL COMPOSITION 持田製薬株式会社 2021-04-01 — — WO disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — US disclosed
US-20190330157-A1 THERAPEUTIC COMPOUNDS REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-10-31 — — US disclosed
US-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-12-29 — — US disclosed
US-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2016-12-29 — — US disclosed
US-6096768-A ADMINISTERING A 3, 5, 6-SUBSTITUTED PHENYL COMPOUND FOR THE TREATMENT OF INFLAMMATION AND AUTOIMMUNE DISORDERS RHONE-POULENC RORER LIMITED (GB) 2000-08-01 — — US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 — — US disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 — — US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 — — EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 — — US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 — — US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 — — EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 — — WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 — — EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 — — 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 (3 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-20190330157-A1 THERAPEUTIC COMPOUNDS OPRL1, INA, OGFR KMT2A 3083/4885ALDH1A1 1048/4885MEN1 4058/4885
US-20160376291-A1 IMIDAZOLO-, OXAZOLO-, AND THIAZOLOPYRIMIDINE MODULATORS OF TRPV1 TRPV1, TRPA1, TRPV4 KMT2A 4460/4885ALDH1A1 2643/4885MEN1 4560/4885
US-12006294-B2 Therapeutic compounds OPRL1, INA, OGFR KMT2A 3083/4885ALDH1A1 1048/4885MEN1 4058/4885

“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.