SCHEMBL30130190

SCHEMBL30130190

Clc1ccc(CCN2CN=C(SCc3ccccc3CSC3=NCN(CCc4ccc(Cl)cc4Cl)CN3)NC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ IDO1 P14902 2/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GAA P10253 1/20 0.41
▸ DAO P14920 1/20 0.41
▸ CA5A P35218 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ ACHE P22303 1/20 0.37

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
SCHEMBL20932772 1.00 TSHR (0.43) TSHRCYP1A2CYP2D6IDO1KMT2A
SCHEMBL31396442 0.89 KMT2A (0.53) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL20920832 0.89 KMT2A (0.53) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL20932660 0.85 KMT2A (0.45) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL30130108 0.85 KMT2A (0.45) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL20920797 0.85 ALDH1A1 (0.44) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL20917818 0.83 KMT2A (0.46) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL22275641 0.82 KMT2A (0.42) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL20932774 0.82 CYP1A2 (0.48) TSHRCYP1A2CYP2D6KMT2ALMNA
SCHEMBL22263103 0.81 KMT2A (0.47) TSHRCYP1A2CYP2D6KMT2ALMNA

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-20220380305-A1 IDO/TDO Inhibitor CANBAS CO., LTD. 2022-12-01 — — 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-20220380305-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 TSHR 266/4885CYP1A2 508/4885CYP2D6 948/4885

“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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