SCHEMBL30451950

SCHEMBL30451950

COc1cc(OC(F)(F)F)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 5/20 0.46
RUNX1 Q01196 1/20 0.42
CRHR1 P34998 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SCN5A Q14524 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GRIN2B Q13224 1/20 0.40
MAPT P10636 1/20 0.40
CES1 P23141 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL5747338 1.00 GPR3 (0.46) GPR3RUNX1CRHR1ALDH1A1POLB
SCHEMBL20639001 0.88 GPR3 (0.42) GPR3RUNX1CRHR1ALDH1A1POLB
SCHEMBL29131434 0.88 GPR3 (0.42) GPR3RUNX1CRHR1ALDH1A1POLB
SCHEMBL31697167 0.88 GPR3 (0.42) GPR3RUNX1CRHR1ALDH1A1POLB
SCHEMBL5158453 0.87 ALDH1A1 (0.46) GPR3RUNX1CRHR1ALDH1A1POLB
SCHEMBL2370514 0.85 CA12 (0.45) RUNX1CRHR1ALDH1A1POLBTHRB
SCHEMBL12422184 0.82 CA12 (0.61) GPR3RUNX1CA12CA1CA2
SCHEMBL3711912 0.82 SCD (0.39) GPR3RUNX1CRHR1ALDH1A1POLB
SCHEMBL22208649 0.81 S1PR1 (0.43) GPR3POLBMAPTMEN1KMT2A
SCHEMBL31697316 0.81 S1PR1 (0.43) GPR3POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
CN-118946556-A DGK targeting compounds and uses thereof 阿维纳斯运营公司 2024-11-12 CN disclosed
US-20240109920-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF ANNEXON, INC. 2024-04-04 US disclosed
CN-117263856-A Nav1.8 inhibitors 武汉人福创新药物研发中心有限公司 2023-12-22 CN disclosed
CN-116947903-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-10-27 CN disclosed
CN-116261564-A Inhibitors of complement factors and uses thereof 安尼艾克松股份有限公司 2023-06-13 CN disclosed
EP-4185592-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF Annexon, Inc. (US) 2023-05-31 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 (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-20240109920-A1 INHIBITORS OF COMPLEMENT FACTORS AND USES THEREOF CFB, CFH, C9 GPR3 3896/4885RUNX1 4291/4885CRHR1 4400/4885
US-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A GPR3 430/4885RUNX1 3290/4885CRHR1 2904/4885

“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.