SCHEMBL4909016

SCHEMBL4909016

Cc1ccc(-n2nc[c]c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
ALDH1A1 P00352 7/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KMT2A Q03164 2/20 0.40
ELANE P08246 2/20 0.40
F2 P00734 1/20 0.40
CTSG P08311 1/20 0.40
CMA1 P23946 1/20 0.40
CTRC Q99895 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 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
SCHEMBL1906253 0.84 ALDH1A1 (0.40) RAB9AALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL316519 0.83 RAB9A (0.41) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL316018 0.81 KMT2A (0.46) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL1908255 0.77 NPC1 (0.49) RAB9AALDH1A1NPC1MAPTHTT
SCHEMBL1900876 0.72 CYP2A6 (0.45) ALDH1A1MAPTHTTELANECYP3A4
SCHEMBL1902318 0.71 NPC1 (0.46) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL1906114 0.70 CYP1A2 (0.47) RAB9AALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL1906555 0.69 ALDH1A1 (0.38) ALDH1A1NPSR1KMT2ACYP1A2MEN1
SCHEMBL2897551 0.68 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTHTTKMT2A
SCHEMBL2895231 0.67 CDK4 (0.36) RAB9AALDH1A1SMN1; SMN2NPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 RAB9A 1161/4885ALDH1A1 2856/4885SMN1; SMN2 4722/4885

“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.