SCHEMBL1055086

SCHEMBL1055086

CN1CCN(CCCNn2c(=O)ccc3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
DRD3 P35462 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
KMT2A Q03164 3/20 0.42
CA12 O43570 1/20 0.42
BRD4 O60885 1/20 0.42
BRPF1 P55201 1/20 0.42
CA9 Q16790 1/20 0.42
KAT2B Q92831 1/20 0.42
BRD9 Q9H8M2 1/20 0.42
HTR7 P34969 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL1052583 0.81 KAT2B (0.42) KDM4EHSD17B10HRH3KMT2ACA12
SCHEMBL3738350 0.80 KAT2B (0.41) KDM4EHSD17B10HRH3KMT2ACA12
SCHEMBL3733975 0.76 CA12 (0.49) KMT2ACA12BRD4BRPF1CA9
SCHEMBL6436320 0.76 CA12 (0.49) KDM4EKMT2ACA12BRD4BRPF1
SCHEMBL3737684 0.74 CA12 (0.53) KDM4EHSD17B10KMT2ACA12BRD4
SCHEMBL3728433 0.72 KAT2B (0.45) KDM4EHSD17B10CA12BRD4BRPF1
SCHEMBL3732232 0.69 APP (0.43) HSD17B10HRH3KMT2AALDH1A1
SCHEMBL3733019 0.69 CYP1A2 (0.44) KMT2A
SCHEMBL1052536 0.69 KAT2B (0.47) KDM4EKMT2ACA12BRD4BRPF1
SCHEMBL1052534 0.69 CA12 (0.47) KDM4EHSD17B10DRD3KMT2ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7875624-B2 administering a cancer patient 4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2(1H)-one in the treatment of disorders relating to cell adhesion and metastatic processes; for monitoring the effects of drug by measuring the levels of ICAM, VCAM, or E-selectin in the patient NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-01-25 US disclosed
US-20050239825-A1 Modulation of inflammatory and metastatic processes CHIRON CORPORATION 2005-10-27 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-20050239825-A1 Modulation of inflammatory and metastatic processes VCAM1, EPCAM, ICAM1 KDM4E 4739/4885HSD17B10 3905/4885DRD3 4653/4885

“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.