SCHEMBL10249891

SCHEMBL10249891

CCOC(=O)Nc1ccc(-c2c(N)c3ccc(OCCF)cc3n2CC)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KCNQ2 O43526 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PFKFB2 O60825 1/20 0.37
NSD2 O96028 1/20 0.37
PFKFB1 P16118 1/20 0.37
PFKFB3 Q16875 1/20 0.37

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
SCHEMBL10097452 0.95 ALDH1A1 (0.41) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10250941 0.94 SMN1; SMN2 (0.41) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13151775 0.93 ALDH1A1 (0.37) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10249577 0.93 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10097557 0.91 ALDH1A1 (0.38) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL10097413 0.91 NPC1 (0.39) ALDH1A1NPC1RAB9AHPGDCRHBP
SCHEMBL13151832 0.91 KCNQ2 (0.40) ALDH1A1NPC1RAB9AHPGDCRHBP
SCHEMBL10097430 0.90 ALDH1A1 (0.36) ALDH1A1NPC1RAB9AHPGDSMN1; SMN2
SCHEMBL13151852 0.90 LMNA (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL10097463 0.90 MAPT (0.45) NPC1RAB9ASMN1; SMN2PLA2G2AMAPT

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-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS ALDH1A1 591/4885NPC1 297/4885RAB9A 3975/4885

“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.