SCHEMBL20932242

SCHEMBL20932242

COc1ccc(CCN2CN=C(SCc3ccc(Br)cc3CSC3=NCN(CCc4ccc(OC)cc4)CN3)NC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTR1A P08908 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ GFER P55789 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ KCNJ1 P48048 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2E1 P05181 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C8 P10632 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2B6 P20813 1/20 0.36
▸ CYP2C19 P33261 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
SCHEMBL20932675 0.88 SIGMAR1 (0.41) SIGMAR1HRH3HTR1ASLC6A4GFER
SCHEMBL20917798 0.84 SLC6A4 (0.36) SLC6A4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20920181 0.83 CYP1A2 (0.44) SIGMAR1KMT2AGAACYP1A2CYP2D6
SCHEMBL20917919 0.82 ALDH1A1 (0.44) KMT2AGAAMAOBCYP1A2CYP2D6
SCHEMBL20920186 0.78 CYP1A2 (0.49) SIGMAR1KMT2AGAACYP1A2CYP3A4
SCHEMBL30130108 0.78 KMT2A (0.45) KMT2AKCNH2GAACYP1A2CYP2D6
SCHEMBL20932660 0.78 KMT2A (0.45) KMT2AKCNH2GAACYP1A2CYP2D6
SCHEMBL22262956 0.77 ALDH1A1 (0.41) SIGMAR1KMT2AGAAMAOBCYP1A2
SCHEMBL30130216 0.76 CYP1A2 (0.45) SIGMAR1GFERKMT2ACYP1A2CYP2D6
SCHEMBL20918290 0.76 CYP1A2 (0.53) GFERKMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
WO-2019078246-A1 IDO/TDO INHIBITOR 一般社団法人ファルマバレープロジェクト支援機構 2019-04-25 — — 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 (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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 SIGMAR1 1856/4885HRH3 303/4885HTR1A 1094/4885

“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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