SCHEMBL8237403

SCHEMBL8237403

CCNc1nnc(-c2ccc(Br)cn2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA2 P00918 1/20 0.45
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
HPGD P15428 2/20 0.36
PKM P14618 1/20 0.36
GBA1 P04062 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL8233313 0.81 KDM4E (0.49) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL18113537 0.78 RAB9A (0.73) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL930672 0.74 CA2 (0.51) KDM4EALDH1A1NPC1RAB9AHSD17B10
SCHEMBL10200978 0.74 KDM4E (0.48) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL10112910 0.72 KDM4E (0.46) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL27007846 0.71 CA2 (0.71) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL8233246 0.71 DGAT1 (0.58) KDM4ENPC1RAB9AHSD17B10CA2
SCHEMBL930697 0.71 CA2 (0.48) KDM4EALDH1A1NPC1RAB9ACA2
SCHEMBL930734 0.71 CA2 (0.45) KDM4EALDH1A1NPC1RAB9ATP53
SCHEMBL11996756 0.67 RAB9A (1.00) KDM4EALDH1A1NPC1RAB9ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973901-B1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME (US) 2014-12-17 EP disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-7772263-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-06-18 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-7524842-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-04-28 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
US-20070197564-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-08-23 US disclosed
WO-2007084451-A1 HYDANTOIN DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2007-07-26 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-20090156586-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 KDM4E 4550/4885ALDH1A1 1372/4885NPC1 536/4885
US-20070197564-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 KDM4E 4550/4885ALDH1A1 1372/4885NPC1 536/4885

“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.