SCHEMBL17755750

SCHEMBL17755750

Cc1onc(C[C@@H](C)C(=O)Nc2ccccc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ TAS2R8 Q9NYW2 3/20 0.40
▸ GABRA5 P31644 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL17755744 1.00 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755754 0.79 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755756 0.79 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755755 0.77 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755758 0.77 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755719 0.76 HTT (0.53) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2845806 0.74 MEN1 (0.79) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755747 0.73 RECQL (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755746 0.73 RECQL (0.48) MEN1KMT2ANPC1RAB9AMME
SCHEMBL17755766 0.71 HPGD (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA

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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