SCHEMBL4004501

SCHEMBL4004501

O=C1OCCN1c1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MGLL Q99685 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALOX5 P09917 2/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
KDM1B Q8NB78 2/20 0.44
RCOR1 Q9UKL0 2/20 0.44
SLC9A3 P48764 1/20 0.44
HTR1A P08908 1/20 0.39
DRD2 P14416 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39

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
SCHEMBL19280392 0.90 HSD11B1 (0.50) HSD11B1ALDH1A1ATML3MBTL1MGLL
SCHEMBL4017325 0.85 ALOX5 (0.42) HSD11B1ALDH1A1ATML3MBTL1ALOX5
SCHEMBL1936882 0.81 DDB1 (0.51) ALDH1A1MEN1KMT2AKDM1AMAOA
SCHEMBL29519443 0.81 KDM1A (0.42) HSD11B1ALDH1A1KDM1AMAOAMAOB
SCHEMBL5630091 0.81 KDM1A (0.42) HSD11B1ALDH1A1KDM1AMAOAMAOB
SCHEMBL10191867 0.80 HSD11B1 (0.55) HSD11B1ALDH1A1L3MBTL1MGLLALOX5
SCHEMBL30669251 0.80 FADS1 (0.50) HSD11B1ALDH1A1L3MBTL1MGLLMEN1
SCHEMBL30669238 0.80 HSD11B1 (0.55) HSD11B1ALDH1A1L3MBTL1MGLLALOX5
SCHEMBL12362785 0.80 KDM1A (0.46) ALDH1A1MEN1KMT2AKDM1AMAOA
SCHEMBL4018668 0.80 HTR1A (0.46) HSD11B1KDM1AMAOAMAOBKDM1B

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
EP-4709720-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN Larkspur Biosciences, Inc. (US) 2026-03-18 EP disclosed
EP-4703359-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-03-04 EP disclosed
WO-2024233846-A1 INHIBITORS AND DEGRADERS OF PIP4K PROTEIN LARKSPUR BIOSCIENCES, INC. (US) 2024-11-14 WO disclosed
WO-2024222712-A1 IMIDAZOPYRIDINE OR IMIDAZOPYRAZINE COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2024-10-31 WO disclosed
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
CN-108473502-B 4, 6-dihydropyrrolo [3,4-C ] pyrazole-5 (1H) -carbonitrile derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-26 CN disclosed
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2022-04-19 US disclosed
CN-108698992-B 2-cyanoisoindoline derivatives for the treatment of cancer 特殊治疗有限公司 2022-04-19 CN disclosed
EP-3535258-B1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed
US-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (AE) 2021-07-22 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
EP-3429994-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
EP-3430012-A1 4,6 DIHYDROPYRROLO [3,4-C]PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER Mission Therapeutics Limited (GB) 2019-01-23 EP disclosed
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2019-01-10 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
WO-2017158381-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TRATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
WO-2017158388-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2017-09-21 WO disclosed
WO-2009007747-A2 HYDANTOIN DERIVATIVES USED AS MMP12 INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 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 (4 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-20210221813-A1 4,6 DIHYDROPYRROLO [3,4-C] PYRAZOLE-5 (1H)-CARBONITRILE DERIVATES FOR TREATING CANCER USP7, USP1, USP3 HSD11B1 1074/4885ALDH1A1 567/4885ATM 4138/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 HSD11B1 358/4885ALDH1A1 2047/4885ATM 3171/4885
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER USP7, USP47, USP2 HSD11B1 1810/4885ALDH1A1 1159/4885ATM 3095/4885
US-11306096-B2 4,6 dihydropyrrolo [3,4-C] pyrazole-5 (1H)-carbonitrile derivates for treating cancer USP7, USP1, USP3 HSD11B1 1074/4885ALDH1A1 567/4885ATM 4138/4885

“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.