SCHEMBL13047481

SCHEMBL13047481

Cn1ccc2c(NC(=O)c3ccc(-c4ccccc4)cc3)cccc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
DHODH Q02127 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PARP1 P09874 3/20 0.48
PDCD1 Q15116 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
LIPG Q9Y5X9 1/20 0.46

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
SCHEMBL19276596 0.84 NPC1 (0.63) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL13047499 0.81 HDAC1 (0.42) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL13047144 0.81 RAB9A (0.54) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL20942524 0.81 MAPT (0.58) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL1591069 0.81 P2RX7 (0.56) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL1590784 0.81 NPC1 (0.45) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL13047468 0.79 PARP1 (0.60) NPC1RAB9ALMNAHPGDSMN1; SMN2
SCHEMBL13047143 0.78 SMN1; SMN2 (0.54) NPC1RAB9AMAPTLMNAKMT2A
SCHEMBL19276926 0.77 RAB9A (0.58) NPC1RAB9AMAPTKMT2AHPGD
SCHEMBL13047496 0.77 TP53 (0.49) NPC1RAB9AMAPTLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-8546579-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof EVOTEC (US) INC. (US) 2013-10-01 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 US disclosed
US-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof SECOND GENOME, INC. 2010-11-18 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-20100292235-A1 Bicycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 NPC1 2233/4885RAB9A 3422/4885MAPT 4477/4885

“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.