SCHEMBL3313610

SCHEMBL3313610

CC(=O)c1ccc(C(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 3/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
HSD17B1 P14061 1/20 0.46
MAPK1 P28482 2/20 0.43
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 1/20 0.42
STAT3 P40763 1/20 0.42
STAT1 P42224 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11627489 0.94 HSD17B1 (0.57) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL16659380 0.80 MAPT (0.52) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL28608879 0.80 ALDH1A1 (0.48) MAPTRAB9AHPGDLMNAKMT2A
SCHEMBL50646 0.79 MAPT (0.68) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL9683939 0.78 MAPT (0.50) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL527583 0.78 MAPT (0.50) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL182327 0.78 CYP2C9 (0.55) MAPTRAB9AHPGDLMNAL3MBTL1
SCHEMBL8163188 0.78 MRGPRX4 (0.37) LMNASMN1; SMN2ALDH1A1
SCHEMBL315097 0.78 TSHR (0.60) SMN1; SMN2CA1CA2ALDH1A1
SCHEMBL20185541 0.77 KDM4E (0.48) LMNAL3MBTL1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022257961-A1 BENZOHETEROCYCLIC COMPOUND FOR TREATING EP2 AND EP4 RECEPTOR-MEDIATED DISEASES 武汉人福创新药物研发中心有限公司 2022-12-15 WO disclosed
CN-115448882-A Benzoheterocyclic compounds useful for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE USA AS REPRESENTED BY THE SEC DEP OF HEALTH AND HUMAN SERVICES (US) 2019-03-07 US disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 WO disclosed
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-05-12 US disclosed
US-8648200-B2 Imidazole derivatives useful for the treatment of arthritis ELI LILLY AND COMPANY (US) 2014-02-11 US disclosed
WO-2012161965-A1 NOVEL IMIDAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF ARTHRITIS ELI LILLY AND COMPANY (US) 2012-11-29 WO disclosed
US-20120302608-A1 Novel Imidazole Derivatives Useful for the Treatment of Arthritis ELI LILLY AND COMPANY (US) 2012-11-29 US disclosed
US-8318751-B2 Pyrimidinone derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2010-05-06 US disclosed
EP-2148870-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-02-03 EP disclosed
WO-2008130584-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2008-10-30 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 (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-20120302608-A1 Novel Imidazole Derivatives Useful for the Treatment of Arthritis F12, IL1RN, ARG1 MAPT 2679/4885RAB9A 601/4885HPGD 848/4885
US-20100113487-A1 PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF GPR119, GPR180, GPR17 MAPT 4832/4885RAB9A 1703/4885HPGD 529/4885
US-20160130232-A1 4-ALKYNYL IMIDAZOLE DERIVATIVE AND MEDICINE COMPRISING SAME AS ACTIVE INGREDIENT PTGER4, IL4, PTGER1 MAPT 2775/4885RAB9A 2662/4885HPGD 177/4885
US-20190071434-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER IDH1, IDH3B, IDH3A MAPT 4568/4885RAB9A 931/4885HPGD 374/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A MAPT 4568/4885RAB9A 931/4885HPGD 374/4885

“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.