SCHEMBL2932600

SCHEMBL2932600

CCCOc1cccc(CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
DHFR P00374 1/20 0.50
MEP1B Q16820 1/20 0.49
BCHE P06276 4/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
GGPS1 O95749 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2B P41595 1/20 0.44
ROCK2 O75116 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ROCK1 Q13464 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29975974 1.00 KMT2A (0.51) KMT2ADHFRMEP1BBCHEKDM4E
SCHEMBL13541357 0.91 TSHR (0.51) DHFRCYP2D6TSHRGGPS1
SCHEMBL13672772 0.88 MAOB (0.46) BCHEKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL9308504 0.88 TSHR (0.61) DHFRCYP2D6TSHRGGPS1
SCHEMBL31261689 0.88 TSHR (0.61) DHFRCYP2D6TSHRGGPS1
SCHEMBL2937407 0.85 TP53 (0.55) DHFRBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL59488 0.85 KDM4E (0.61) KMT2ADHFRKDM4EALDH1A1SMN1; SMN2
SCHEMBL29976345 0.85 TP53 (0.55) DHFRBCHEKDM4EALDH1A1SMN1; SMN2
SCHEMBL7254138 0.85 PRSS1 (0.47) DHFRKDM4EALDH1A1TSHRGGPS1
SCHEMBL2062788 0.84 KDM4E (0.50) BCHEKDM4EALDH1A1SMN1; SMN2CYP2D6

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 US disclosed
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center (US) 2014-03-13 US disclosed
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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 (6 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB KMT2A 3060/4885DHFR 244/4885MEP1B 2581/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB KMT2A 3060/4885DHFR 244/4885MEP1B 2581/4885
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD KMT2A 3722/4885DHFR 532/4885MEP1B 371/4885
US-20140073634-A1 HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE HIF1AN, HIF1A, EGLN3 KMT2A 1042/4885DHFR 284/4885MEP1B 1728/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB KMT2A 3060/4885DHFR 244/4885MEP1B 2581/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB KMT2A 3060/4885DHFR 244/4885MEP1B 2581/4885

“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.