SCHEMBL4909913

SCHEMBL4909913

CCOc1ccc(-c2c[c]c3ccccc3n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.61
KDM4E B2RXH2 7/20 0.61
MAPT P10636 4/20 0.61
RAB9A P51151 10/20 0.54
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
HPGD P15428 6/20 0.54
LMNA P02545 4/20 0.54
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
POLB P06746 2/20 0.48
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
RAD52 P43351 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TP53 P04637 5/20 0.47
GUSB P08236 1/20 0.47
SLC2A1 P11166 1/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 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
SCHEMBL4909955 0.84 KDM4E (0.58) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL4912670 0.79 ALDH1A1 (0.45) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL29133411 0.78 DHODH (0.46) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL234452 0.78 ACHE (0.47) KDM4EMAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL5780643 0.75 CYP19A1 (0.47) NPC1KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL4907021 0.75 NPC1 (0.53) NPC1KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL4901955 0.75 CYP1A1 (0.41) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL9479921 0.75 KDM4E (0.41) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL17941210 0.75 MPO (0.37) NPC1KDM4EMAPTRAB9AALDH1A1
SCHEMBL27487827 0.75 KDM4E (0.48) NPC1KDM4EMAPTRAB9AALDH1A1

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 NPC1 228/4885KDM4E 4323/4885MAPT 4853/4885

“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.