SCHEMBL37791

SCHEMBL37791

N#CCc1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
PIK3CA P42336 1/20 0.41
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
ENPP2 Q13822 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP3 P08254 1/20 0.36
RPA1 P27694 1/20 0.36
HTR2A P28223 3/20 0.36
SLC6A4 P31645 2/20 0.36
KCNH2 Q12809 2/20 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
SCHEMBL29700913 1.00 DAO (0.41) DAOPIK3CAMAPTHTTNPC1
SCHEMBL30641470 0.84 MAPT (0.38) MAPTHTTNPC1LMNAENPP2
SCHEMBL192429 0.84 MAPT (0.38) MAPTHTTNPC1LMNAENPP2
SCHEMBL2308 0.81 IDO1 (0.52) LMNAENPP2KDM4ETDP1SLC6A4
SCHEMBL29609180 0.81 IDO1 (0.52) LMNAENPP2KDM4ETDP1SLC6A4
SCHEMBL435376 0.81 HTT (0.41) DAOMAPTHTTNPC1LMNA
SCHEMBL4719485 0.81 MEN1 (0.52) DAOPIK3CAMAPTHDAC3HDAC1
SCHEMBL10821425 0.80 PIK3CA (0.41) DAOPIK3CAMAPTHTTLMNA
SCHEMBL23578177 0.77 KDM4E (0.39) MAPTHTTNPC1LMNAENPP2
SCHEMBL4711611 0.76 CYP3A4 (0.61) MAPTHTTNPC1LMNAENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 EP disclosed
US-9944618-B2 Inhibiting neurotransmitter reuptake MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-04-17 US disclosed
US-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2016-01-28 US disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO disclosed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-3984559-A Compositions comprising tetramic acid analogs of pulvinic acid and methods of combating arthritis SMITHKLINE CORPORATION (US) 1976-10-05 US disclosed
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 US disclosed
US-3947580-A Anti-arthritic compositions comprising N-heterocyclic pulvinic acid amides and methods of producing anti-arthritic activity SMITHKLINE CORPORATION (US) 1976-03-30 US disclosed
US-3944571-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-03-16 US disclosed
US-3931207-A ANTIARTHRITIC SMITHKLINE CORPORATION (US) 1976-01-06 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 (2 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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA DAO 4483/4885PIK3CA 2714/4885MAPT 1805/4885
US-20160024044-A1 INHIBITING NEUROTRANSMITTER REUPTAKE SLC6A2, SLC18A2, SLC6A4 DAO 57/4885PIK3CA 4368/4885MAPT 698/4885

“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.