SCHEMBL30130108

SCHEMBL30130108

Clc1ccccc1CCN1CN=C(SCc2ccc(Br)cc2CSC2=NCN(CCc3ccccc3Cl)CN2)NC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ KCNH2 Q12809 1/20 0.40
▸ GAA P10253 3/20 0.40
▸ MGAM O43451 2/20 0.40
▸ SI P14410 2/20 0.40
▸ MGAM2 Q2M2H8 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD11B1 P28845 2/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ DAO P14920 1/20 0.35

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
SCHEMBL20932660 1.00 KMT2A (0.45) KMT2ALMNAKCNH2GAAMGAM
SCHEMBL31396442 0.90 KMT2A (0.53) KMT2ALMNAKCNH2GAACYP1A2
SCHEMBL20920832 0.90 KMT2A (0.53) KMT2ALMNAKCNH2GAACYP1A2
SCHEMBL22275641 0.85 KMT2A (0.42) KMT2ALMNAKCNH2GAACYP1A2
SCHEMBL20932772 0.85 TSHR (0.43) KMT2ALMNAKCNH2GAACYP1A2
SCHEMBL30130190 0.85 TSHR (0.43) KMT2ALMNAKCNH2GAACYP1A2
SCHEMBL20920181 0.84 CYP1A2 (0.44) KMT2AGAACYP1A2CYP2D6TSHR
SCHEMBL22263103 0.82 KMT2A (0.47) KMT2ALMNAKCNH2GAACYP1A2
SCHEMBL20917919 0.81 ALDH1A1 (0.44) KMT2ALMNAGAACYP1A2CYP2D6
SCHEMBL22262956 0.81 ALDH1A1 (0.41) KMT2AGAACYP1A2CYP2D6TSHR

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 KMT2A 796/4885LMNA 4875/4885KCNH2 2295/4885

“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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