SCHEMBL10097553

SCHEMBL10097553

CCNC(=O)Nc1ccc(-c2c(N)c3ccc(OCCOC)cc3n2CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.40
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR3 Q99500 2/20 0.37
KDR P35968 3/20 0.37
BRD4 O60885 2/20 0.36
PDGFRB P09619 2/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
ABL1 P00519 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK1 P28482 1/20 0.36
AURKB Q96GD4 1/20 0.36
ATM Q13315 2/20 0.35
ABCB1 P08183 1/20 0.35
MTOR P42345 1/20 0.35
CHEK2 O96017 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL10097403 0.91 ALDH1A1 (0.41) MTNR1BMEN1NPC1RAB9AKMT2A
SCHEMBL13151840 0.90 NPC1 (0.39) MEN1NPC1RAB9AKMT2AS1PR3
SCHEMBL13052711 0.89 CYP3A4 (0.39) MEN1NPC1RAB9AKMT2AS1PR3
SCHEMBL10097535 0.88 FPR2 (0.45) NPC1RAB9AKMT2AS1PR3BRD4
SCHEMBL13151832 0.87 KCNQ2 (0.40) MTNR1BMEN1NPC1RAB9AKMT2A
SCHEMBL10096678 0.86 PDGFRB (0.41) MTNR1BMEN1NPC1RAB9AKMT2A
SCHEMBL10097504 0.86 RAB9A (0.37) MEN1NPC1RAB9AKMT2AS1PR3
SCHEMBL13151851 0.86 SMN1; SMN2 (0.41) MEN1NPC1RAB9AKMT2AKDR
SCHEMBL13052706 0.85 NPC1 (0.42) MEN1NPC1RAB9AKMT2AS1PR3
SCHEMBL10097482 0.85 RAB9A (0.43) NPC1RAB9AKMT2AKDRMAPK1

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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 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 (2 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-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS MTNR1B 2599/4885MEN1 4800/4885NPC1 87/4885
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP MTNR1B 827/4885MEN1 4860/4885NPC1 514/4885

“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.