SCHEMBL208889

SCHEMBL208889

Clc1ccc(-c2cc[c]s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
LMNA P02545 1/20 0.36
CYP2A6 P11509 1/20 0.36
IKBKB O14920 2/20 0.36
AHR P35869 2/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
CNR1 P21554 1/20 0.32
KDM4E B2RXH2 3/20 0.31
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
NOTUM Q6P988 1/20 0.31
PTGS2 P35354 1/20 0.31
ALOX5 P09917 1/20 0.31
RAB9A P51151 4/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL10470686 0.89 TSHR (0.32) CYP1A2IKBKBALDH1A1MAPTPOLB
SCHEMBL10471763 0.86 CYP1A2 (0.32) CYP1A2
SCHEMBL10719143 0.86 KDM4E (0.33) LMNAKDM4ERAB9AGFER
SCHEMBL10717735 0.84 LMNA (0.31) LMNAGAA
SCHEMBL2750496 0.80 TSHR (0.35) CNR1
SCHEMBL1416520 0.79 ALOX5 (0.40) CYP1A2IKBKBCNR1NOTUMALOX5
SCHEMBL1416461 0.77 ACHE (0.36) LMNAALDH1A1MAPTPOLBKDM4E
SCHEMBL1415990 0.77 HSD17B1 (0.36) CYP1A2IKBKBALDH1A1MAPTKDM4E
SCHEMBL195957 0.77 ESR1 (0.50) LMNAALDH1A1MAPTPOLBKDM4E
SCHEMBL4410865 0.77 ALDH1A1 (0.41) CYP1A2CYP2A6ALDH1A1POLBNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109776537-B Purine diones as WNT pathway modulators 新加坡科技研究局 2021-12-14 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-10844063-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-11-24 US disclosed
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-18 US disclosed
EP-2999699-B1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY SCIENCE TECH & RES (SG) 2020-04-29 EP disclosed
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
US-5616579-A ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER SANKYO COMPANY, LIMITED (JP) 1997-04-01 US disclosed
EP-0562833-B1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO CO (JP) 1996-05-08 EP disclosed
CN-1081437-A Antiulcer pyridine oxygen derivative, their preparation method and purposes SANKYO CO (JP) 1994-02-02 CN disclosed
EP-0562833-A1 Anti-ulcer pyridyloxy derivatives, their preparation and uses SANKYO COMPANY LIMITED (JP) 1993-09-29 EP 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 (9 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-20050020645-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885LMNA 2624/4885CYP2A6 2751/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CYP1A2 144/4885LMNA 2300/4885CYP2A6 264/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 CYP1A2 452/4885LMNA 2103/4885CYP2A6 527/4885
US-20200190086-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, CTNNB1 CYP1A2 144/4885LMNA 2300/4885CYP2A6 264/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CYP1A2 2631/4885LMNA 2624/4885CYP2A6 2751/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R CYP1A2 497/4885LMNA 2698/4885CYP2A6 815/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP1A2 452/4885LMNA 2103/4885CYP2A6 527/4885
US-10844063-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 CYP1A2 144/4885LMNA 2300/4885CYP2A6 264/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 CYP1A2 452/4885LMNA 2103/4885CYP2A6 527/4885

“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.