SCHEMBL12799208

SCHEMBL12799208

CNc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.65
NPC1 O15118 13/20 0.65
KDM4E B2RXH2 12/20 0.65
POLB P06746 2/20 0.65
PKM P14618 5/20 0.64
EPHX2 P34913 1/20 0.64
GFER P55789 3/20 0.63
MAPT P10636 5/20 0.61
MAPK1 P28482 3/20 0.61
NPSR1 Q6W5P4 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
SMN1; SMN2 Q16637 9/20 0.59
ALDH1A1 P00352 7/20 0.59
APP P05067 1/20 0.59
HPGD P15428 6/20 0.57
KMT2A Q03164 4/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MEN1 O00255 2/20 0.56

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
Trifluoroacetic Acid SCHEMBL14719213 0.87 PTGS1 (0.57) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL30366944 0.87 RAB9A (0.69) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL13325909 0.87 RAB9A (0.83) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL14076569 0.85 KDM4E (0.72) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL13325938 0.85 RAB9A (0.80) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL5776801 0.84 RAB9A (0.65) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL6388717 0.82 RAB9A (0.71) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL13325735 0.82 RAB9A (0.75) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL4728174 0.81 KDM4E (0.75) RAB9ANPC1KDM4EPOLBPKM
SCHEMBL1494782 0.81 KDM4E (0.75) RAB9ANPC1KDM4EPOLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150423-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS YUMANITY THERAPEUTICS, INC. (US) 2020-07-23 WO disclosed
US-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS JANSSEN PHARMACEUTICA NV (BE) 2020-07-16 US disclosed
EP-2491009-B1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-07-05 EP disclosed
US-20130053412-A1 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 US disclosed
WO-2011048018-A1 CYCLOPENTANECARBOXAMIDE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20200222400-A1 METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NLN, CLN6, OTC RAB9A 2204/4885NPC1 356/4885KDM4E 3693/4885
US-20130053412-A1 Cyclopentanecarboxamide derivatives, medicaments containing such compounds and their use CPT1A, FASN, CES1 RAB9A 4531/4885NPC1 116/4885KDM4E 2941/4885

“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.