SCHEMBL31396352

SCHEMBL31396352

Brc1cccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4cccc(Br)c4)CN3)NC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TAAR1 Q96RJ0 2/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ MAOB P27338 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PARP1 P09874 1/20 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
SCHEMBL22262956 1.00 ALDH1A1 (0.41) ALDH1A1CYP2C19TSHRUSP2HPGD
SCHEMBL22263152 0.92 ALDH1A1 (0.45) ALDH1A1CYP2C19TSHRUSP2HPGD
SCHEMBL20917919 0.87 ALDH1A1 (0.44) ALDH1A1CYP2C19TSHRKMT2AMEN1
SCHEMBL22263183 0.87 ALDH1A1 (0.53) ALDH1A1CYP2C19TSHRKMT2AMEN1
SCHEMBL20932351 0.83 DAO (0.40) ALDH1A1CYP2C19SIGMAR1MAOBRAB9A
SCHEMBL20932774 0.82 CYP1A2 (0.48) TSHRKMT2AMEN1SIGMAR1CYP1A2
SCHEMBL20932775 0.82 GAA (0.40) ALDH1A1CYP2C19TSHRHPGDKMT2A
SCHEMBL22263101 0.80 ALDH1A1 (0.49) ALDH1A1CYP2C19TSHRL3MBTL1TAAR1
SCHEMBL20932777 0.80 TAAR1 (0.45) ALDH1A1CYP2C19TSHRKMT2AMEN1
SCHEMBL20920797 0.80 ALDH1A1 (0.44) ALDH1A1CYP2C19TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12209079-B2 IDO/TDO inhibitor GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2025-01-28 — — 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 (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-12209079-B2 IDO/TDO inhibitor IDO1, IDO2, TDO2 ALDH1A1 3331/4885CYP2C19 573/4885TSHR 115/4885

“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.

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