SCHEMBL3899804

SCHEMBL3899804

Cn1c(C=O)cc2cc(Cl)ccc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
AHR P35869 1/20 0.40
PTGER4 P35408 1/20 0.40
PHGDH O43175 6/20 0.39
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HCRTR1 O43613 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAT2A P31153 1/20 0.36

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
SCHEMBL27764951 0.82 RXFP1 (0.43) RXFP1MEN1KMT2AAHRPHGDH
SCHEMBL4019147 0.80 MAPT (0.49) RXFP1MEN1KMT2AKDM4EMAPT
SCHEMBL1335436 0.79 ALDH1A1 (0.54) MEN1KMT2AKDM4EHCRTR1
SCHEMBL21803746 0.79 MCL1 (0.54) MAPTNPSR1
SCHEMBL12921152 0.79 BRPF1 (0.56) TDP1KDM4EMAPTCASP1CASP7
SCHEMBL18258146 0.78 PTGER4 (0.54) PTGER4TDP1KDM4EMAPT
SCHEMBL7982455 0.76 ALDH1A1 (0.56) MEN1KMT2APTGER4KDM4EMAPT
SCHEMBL342762 0.76 GRIN2D (0.51) MEN1KMT2AKDM4EMAPT
SCHEMBL29894136 0.76 GRIN2D (0.51) MEN1KMT2AKDM4EMAPT
SCHEMBL12958606 0.75 ALB (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115203-A1 OXER1 ANTAGONISTS AND USES THEREOF FAIRHAVEN PHARMACEUTICALS INC. (CA) 2023-06-29 WO disclosed
CN-107635961-B Indole analogs as 5-oxo-ETE receptor antagonists and methods of use thereof 皇家学习促进学会/麦吉尔大学 2021-07-20 CN disclosed
US-10941162-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10919914-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2021-02-16 US disclosed
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 EP disclosed
EP-3277665-B1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIV (CA) 2020-03-04 EP disclosed
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-10-31 US disclosed
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2019-05-09 US disclosed
US-10253047-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2019-04-09 US disclosed
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-03-29 US disclosed
WO-2016154749-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-10-06 WO disclosed
WO-2016154749-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-10-06 WO disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2016-05-05 US disclosed
WO-2016054491-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. (US) 2016-04-07 WO disclosed
EP-1660464-B1 CASPASE INHIBITORS CONTAINING ISOXAZOLINE RING LG LIFE SCIENCES LTD (KR) 2015-02-25 EP disclosed
CN-1842521-B Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD 2012-09-05 CN disclosed
US-7557133-B2 Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD. (KR) 2009-07-07 US disclosed
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring LG CHEM, LTD. (KR) 2006-10-05 US disclosed
CN-1842521-A Caspase inhibitors containing isoxazoline ring LG LIFE SCIENCES LTD (KR) 2006-10-04 CN 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 (8 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-10919914-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB RXFP1 4131/4885MEN1 1386/4885KMT2A 3819/4885
US-20180086702-A1 INDOLE ANALOGS AS 5-OXO-ETE RECEPTOR ANTAGONISTS AND METHOD OF USE THEREOF HTR5A, EDNRA, HTR3E RXFP1 219/4885MEN1 3985/4885KMT2A 3866/4885
US-20190135833-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB RXFP1 4131/4885MEN1 1386/4885KMT2A 3819/4885
US-20160122365-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB RXFP1 4131/4885MEN1 1386/4885KMT2A 3819/4885
US-10941162-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB RXFP1 4536/4885MEN1 2006/4885KMT2A 3911/4885
US-20190330240-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB RXFP1 4131/4885MEN1 1386/4885KMT2A 3819/4885
US-10253047-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB RXFP1 4144/4885MEN1 1188/4885KMT2A 3671/4885
US-20060223848-A1 Caspase inhibitors containing isoxazoline ring CASP1, CASP7, CASP2 RXFP1 3080/4885MEN1 4843/4885KMT2A 4075/4885

“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.