SCHEMBL3591959

SCHEMBL3591959

COCC(=O)C(C#N)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
ALOX5 P09917 1/20 0.51
FFAR1 O14842 2/20 0.50
MAOB P27338 3/20 0.48
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47

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
SCHEMBL30771219 0.85 LTA4H (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX5
SCHEMBL10848249 0.84 TSHR (0.49) SMN1; SMN2ALDH1A1
SCHEMBL6803017 0.82 ALOX5 (0.59) NPC1RAB9AALOX5FFAR1MAOB
SCHEMBL256951 0.81 ALDH1A1 (0.43) ALDH1A1ALOX5FFAR1
SCHEMBL6629953 0.81 LMNA (0.61) SMN1; SMN2ALDH1A1ALOX5FFAR1MAOB
SCHEMBL14221791 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX5
SCHEMBL15042181 0.77 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX5
SCHEMBL9149235 0.76 CNR2 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1ALOX5
SCHEMBL956766 0.74 MAOB (0.60) RAB9ASMN1; SMN2ALOX5FFAR1MAOB
SCHEMBL17465915 0.73 MAOB (0.64) RAB9ASMN1; SMN2ALOX5FFAR1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074127-A1 PYRAZOLO [1, 5-A]PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE Novartis AG (CH) 2009-07-01 EP disclosed
WO-2008037459-A1 PYRAZOLO [1, 5-A] PYRIMIDINE DERIVATIVES AND THEIR THERAPEUTIC USE NOVARTIS AG (CH) 2008-04-03 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN NPC1 3655/4885RAB9A 2814/4885SMN1; SMN2 3267/4885

“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.