SCHEMBL17755761

SCHEMBL17755761

Cc1nnc(C[C@@H](C)C(=O)Nc2ccccc2)n1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ RECQL P46063 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL17755752 1.00 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755717 0.76 MAPT (0.53) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL17755746 0.75 RECQL (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755747 0.75 RECQL (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL2845806 0.74 MEN1 (0.79) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755763 0.71 LMNA (0.49) KMT2ATSHRALDH1A1GAALMNA
SCHEMBL17755759 0.71 LMNA (0.49) KMT2ATSHRALDH1A1GAALMNA
SCHEMBL8027661 0.70 MME (0.63) MEN1KMT2ANPC1RAB9AMME
SCHEMBL18456226 0.70 MME (0.63) MEN1KMT2ANPC1RAB9AMME
SCHEMBL12205972 0.70 MME (0.63) MEN1KMT2ANPC1RAB9AMME

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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2016-05-19 — — 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-20160137639-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF CYP3A7, CYP2C19, CYP3A5 MEN1 1076/4885KMT2A 2409/4885NPC1 1020/4885

“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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