SCHEMBL22263152

SCHEMBL22263152

Brc1cccc(CCN2CN=C(SCc3ccccc3)NC2)c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAOB P27338 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 1/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SPR P35270 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ POLB P06746 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
SCHEMBL31396352 0.92 ALDH1A1 (0.41) ALDH1A1CYP2C19MAOBTSHRUSP2
SCHEMBL22262956 0.92 ALDH1A1 (0.41) ALDH1A1CYP2C19MAOBTSHRUSP2
SCHEMBL22263101 0.88 ALDH1A1 (0.49) ALDH1A1CYP2C19MAOBTSHRL3MBTL1
SCHEMBL22263183 0.80 ALDH1A1 (0.53) ALDH1A1CYP2C19TSHRKMT2AMEN1
SCHEMBL19019917 0.79 TDP1 (0.46) ALDH1A1CYP2C19TSHRUSP2HPGD
SCHEMBL20917919 0.79 ALDH1A1 (0.44) ALDH1A1CYP2C19MAOBTSHRKMT2A
SCHEMBL19061437 0.78 ALDH1A1 (0.42) ALDH1A1CYP2C19HPGDL3MBTL1KMT2A
SCHEMBL20917797 0.78 MAPT (0.47) ALDH1A1CYP2C19MAOBTSHRL3MBTL1
SCHEMBL22263103 0.78 KMT2A (0.47) ALDH1A1CYP2C19TSHRKMT2AGAA
SCHEMBL22275730 0.78 ALDH1A1 (0.51) ALDH1A1CYP2C19TSHRKMT2AGAA

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-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — 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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 ALDH1A1 3331/4885CYP2C19 573/4885MAOB 60/4885

“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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