SCHEMBL22263101

SCHEMBL22263101

Brc1ccc(CCN2CN=C(SCc3ccccc3)NC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ GAA P10253 2/20 0.43
▸ TAAR1 Q96RJ0 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALOX15B O15296 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ OPRK1 P41145 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 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
SCHEMBL20917919 0.90 ALDH1A1 (0.44) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL22263152 0.88 ALDH1A1 (0.45) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL20917797 0.85 MAPT (0.47) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL22263183 0.85 ALDH1A1 (0.53) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL22275639 0.81 ALDH1A1 (0.49) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL20932777 0.81 TAAR1 (0.45) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL22262956 0.80 ALDH1A1 (0.41) ALDH1A1CYP2C19GAATAAR1RAB9A
SCHEMBL14286352 0.80 OPRK1 (0.48) CYP2C19SMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL22263103 0.80 KMT2A (0.47) ALDH1A1CYP2C19GAATSHRMAPT
Hydrochloric Acid SCHEMBL22263121 0.80 ALDH1A1 (0.48) ALDH1A1CYP2C19GAATAAR1RAB9A

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 573/4885GAA 3551/4885

“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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