SCHEMBL1493478

SCHEMBL1493478

CCOC(=O)c1cnn(-c2ccc(OC)nc2)c1N

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ TSHR P16473 3/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ HPGD P15428 2/20 0.66
▸ MAPT P10636 8/20 0.61
▸ HTT P42858 1/20 0.60
▸ NPC1 O15118 4/20 0.58
▸ TP53 P04637 2/20 0.58
▸ MEN1 O00255 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.51
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL1356015 0.84 ALDH1A1 (0.79) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL21605139 0.84 TRPC1 (0.59) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL30147966 0.84 TRPC1 (0.59) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL26978013 0.82 ALDH1A1 (1.00) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL20098725 0.81 RAB9A (0.67) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL16787630 0.81 ALDH1A1 (0.82) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL4948312 0.80 ALDH1A1 (0.81) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL1195022 0.80 ALDH1A1 (0.81) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL6527991 0.80 ALDH1A1 (0.81) RAB9AALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL1143334 0.80 ALDH1A1 (1.00) RAB9AALDH1A1TSHRSMN1; SMN2HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-04-14 — — US disclosed
EP-2288603-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2011-03-02 — — EP disclosed
WO-2009150614-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-12-17 — — WO 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-20110086889-A1 TETRAZOLE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R RAB9A 3585/4885ALDH1A1 3233/4885TSHR 44/4885

“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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