SCHEMBL3772673

SCHEMBL3772673

Clc1ccccc1-c1csc(Br)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.58
ATP4A P20648 3/20 0.55
ATP4B P51164 3/20 0.55
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.49
GSTO1 P78417 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM1A O60341 1/20 0.45
PTGS2 P35354 1/20 0.44

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
SCHEMBL30378574 1.00 CYP19A1 (0.58) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL3766189 0.85 HTR2C (0.48) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL38240 0.81 HSD17B10 (0.62) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL30123146 0.81 HSD17B10 (0.62) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL4437476 0.79 CYP19A1 (0.57) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL4437473 0.79 CYP19A1 (0.57) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL27751529 0.79 ATP4A (0.58) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL12067391 0.79 CYP19A1 (0.57) CYP19A1ATP4AATP4BNPC1RAB9A
Bromide SCHEMBL1915171 0.79 HSD17B10 (0.61) CYP19A1ATP4AATP4BNPC1RAB9A
SCHEMBL203816 0.79 CYP19A1 (0.56) CYP19A1ATP4AATP4BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117769544-A Polysubstituted thiazole derivative and application thereof in disease treatment 上海汇伦医药股份有限公司 2024-03-26 CN disclosed
CN-115701427-A Polysubstituted thiazole derivatives and their use in the treatment of diseases 上海汇伦医药股份有限公司 2023-02-10 CN disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
CN-101103007-A Amide compound TAKEDA PHARMACEUTICAL (JP) 2008-01-09 CN disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 EP 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 (1 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 CYP19A1 788/4885ATP4A 1719/4885ATP4B 2624/4885

“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.