SCHEMBL20173461

SCHEMBL20173461

NCCOc1ccc(I)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
HTR1B P28222 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 2/20 0.33
PLA2G2A P14555 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AKT1 P31749 2/20 0.32
CHUK O15111 1/20 0.32
DYRK3 O43781 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
PIM1 P11309 1/20 0.32
PHKG2 P15735 1/20 0.32
PRKACA P17612 1/20 0.32

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
SCHEMBL30150621 1.00 KDM4E (0.42) KDM4ETAAR1HTR1BTP53MAPK1
Hydrochloric Acid SCHEMBL20163561 0.98 KDM4E (0.45) KDM4ETAAR1HTR1BTP53MAPK1
SCHEMBL20173483 0.90 HTR1B (0.37) KDM4EHTR1BMAPK1RAB9AAKT1
Hydrochloric Acid SCHEMBL20163573 0.89 HTR1B (0.36) KDM4EHTR1BMAPK1RAB9AAKT1
SCHEMBL13420116 0.84 APP (0.40) APPMAPTSNCAHRH3
SCHEMBL461500 0.80 GABRP (0.41) KDM4ETP53MAPK1RAB9AHPGD
SCHEMBL20190927 0.80 HRH3 (0.31) MAPTHRH3
SCHEMBL13420133 0.80 PIK3CD (0.42) SMN1; SMN2APPMAPT
SCHEMBL10187966 0.78 PIK3CD (0.43) PIM1APPMAPTSNCA
SCHEMBL16809049 0.78 NPC1 (0.43) KDM4EMAPK1RAB9ALTA4HSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2023-02-23 US disclosed
US-20220033376-A1 ESTROGEN RECEPTOR ANTAGONIST CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2022-02-03 US disclosed
EP-3889133-A1 ESTROGEN RECEPTOR ANTAGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-10-06 EP disclosed
WO-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
WO-2020125640-A1 ESTROGEN RECEPTOR ANTAGONIST 正大天晴药业集团股份有限公司 2020-06-25 WO disclosed
US-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-07 US disclosed
US-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-11-07 US disclosed
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
CN-110267940-A Tetrasubstituted olefin compounds and their use 卫材 R&D 管理有限公司 2019-09-20 CN disclosed
WO-2018097273-A1 SALTS OF INDAZOLE DERIVATIVE AND CRYSTALS THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 US 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 (5 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 KDM4E 2462/4885TAAR1 4179/4885HTR1B 3848/4885
US-20220033376-A1 ESTROGEN RECEPTOR ANTAGONIST ESR1, GPER1, ESR2 KDM4E 2278/4885TAAR1 352/4885HTR1B 300/4885
US-20230055961-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF FURIN, PFAS, CFTR KDM4E 3846/4885TAAR1 3589/4885HTR1B 982/4885
US-20190337921-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 KDM4E 2462/4885TAAR1 4179/4885HTR1B 3848/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 KDM4E 1882/4885TAAR1 4224/4885HTR1B 3549/4885

“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.