SCHEMBL6099088

SCHEMBL6099088

O=c1nc(Br)c2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
ALDH1A1 P00352 5/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
ADORA3 P0DMS8 4/20 0.50
APP P05067 2/20 0.49
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PARP1 P09874 4/20 0.45
CYP1A2 P05177 3/20 0.45
GPR3 P46089 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TNKS2 Q9H2K2 2/20 0.45
TNKS O95271 1/20 0.45

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
SCHEMBL30293081 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL530191 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL29844822 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL6076792 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4413903 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
Benzoylenurea SCHEMBL29947820 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL554709 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL196018 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL3139711 0.76 KDM4E (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL1867417 0.76 ALDH1A1 (0.58) KDM4EALDH1A1HSD17B10HPGDTSHR

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-7053216-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
US-20030171387-A1 Modulators of Rho C activity ENTELOS HOLDING CORP. 2003-09-11 US disclosed
WO-2003043961-A2 MODULATORS OF RHO C ACTIVITY ICONIX PHARMACEUTICALS, INC. (US) 2003-05-30 WO disclosed
EP-0248554-A2 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-12-09 EP 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-20030171387-A1 Modulators of Rho C activity RHOC, ROCK1, CIT KDM4E 3027/4885ALDH1A1 2744/4885HSD17B10 900/4885

“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.