SCHEMBL1986394

SCHEMBL1986394

Cc1ccc2nc(-c3ccc(/C=C/c4ccncc4)cc3)cn2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.67
RAB9A P51151 11/20 0.67
ALDH1A1 P00352 11/20 0.67
KDM4E B2RXH2 10/20 0.67
SMN1; SMN2 Q16637 9/20 0.67
KMT2A Q03164 3/20 0.67
PAX8 Q06710 2/20 0.67
MEN1 O00255 1/20 0.67
MITF O75030 1/20 0.67
KDM5A P29375 1/20 0.67
KDM5C P41229 1/20 0.67
APP P05067 2/20 0.60
HPGD P15428 6/20 0.57
PKM P14618 4/20 0.57
HSD17B10 Q99714 3/20 0.57
TP53 P04637 3/20 0.57
TSHR P16473 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
ALDH1A3 P47895 3/20 0.51

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
SCHEMBL1986395 1.00 NPC1 (0.67) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL13480654 0.85 NPC1 (0.70) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12509006 0.83 NPC1 (0.63) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL396368 0.81 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL9488366 0.81 NPC1 (0.73) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1983196 0.80 RAB9A (0.72) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2193986 0.80 RAB9A (0.72) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2194242 0.76 APP (0.60) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2194236 0.76 APP (0.60) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL1983316 0.75 NPC1 (0.80) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 NPC1 1265/4885RAB9A 2622/4885ALDH1A1 2058/4885

“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.