SCHEMBL17755745

SCHEMBL17755745

Cc1nnn(C[C@@H](C)C(=O)Nc2ccccc2)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ POLB P06746 3/20 0.45
▸ APAF1 O14727 1/20 0.45
▸ RECQL P46063 1/20 0.43
▸ GPR88 Q9GZN0 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 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
SCHEMBL17755748 1.00 MME (0.47) MMEACEPOLBAPAF1RECQL
SCHEMBL21466972 0.81 APAF1 (0.71) POLBAPAF1MEN1KMT2AALDH1A1
SCHEMBL17755718 0.76 KMT2A (0.58) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL17755747 0.73 RECQL (0.48) MMEACEPOLBRECQLMEN1
SCHEMBL17755746 0.73 RECQL (0.48) MMEACEPOLBRECQLMEN1
SCHEMBL21466973 0.72 MME (0.51) MMEACEPOLBAPAF1RECQL
SCHEMBL22225773 0.72 MME (0.51) MMEACEPOLBAPAF1RECQL
SCHEMBL17755765 0.71 KDM4E (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL17755762 0.71 KDM4E (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL8027661 0.70 MME (0.63) MMEACEPOLBMEN1KMT2A

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 MME 1887/4885ACE 131/4885POLB 3827/4885

“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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