SCHEMBL3602750

SCHEMBL3602750

N#Cc1c[nH]cc1-c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S100A9 P06702 1/20 0.40
KDM4E B2RXH2 3/20 0.37
MCL1 Q07820 1/20 0.37
LRRK2 Q5S007 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MAP2K1 Q02750 1/20 0.31
TSHR P16473 1/20 0.31
GPR35 Q9HC97 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL10504897 0.82 KDM4E (0.54) KDM4ELRRK2ADORA2AADORA1ALDH1A1
SCHEMBL3914123 0.82 VCAM1 (0.43) S100A9KDM4EMCL1ALDH1A1
SCHEMBL9200637 0.81 LRRK2 (0.49) KDM4EMCL1LRRK2ALDH1A1GAA
SCHEMBL11937468 0.77 CHUK (0.34) LRRK2CYP11B1CYP11B2
SCHEMBL10852761 0.73 KDM4E (0.46) KDM4EMCL1GAACNR1CNR2
SCHEMBL3593310 0.73 CES2 (0.37) CYP11B1CYP11B2
SCHEMBL29765 0.72 LRRK2 (0.46) KDM4EMCL1LRRK2ADORA2AADORA1
SCHEMBL10796898 0.71 CYP11B2 (0.42) ALDH1A1CYP11B1CYP11B2
SCHEMBL10335763 0.70 S1PR3 (0.36) KDM4EMCL1CYP11B1CYP11B2CNR1
SCHEMBL15561094 0.70 JAK2 (0.44) KDM4EMCL1ALDH1A1GAA

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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2010-04-08 US disclosed
EP-1828172-B1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2009-11-25 EP disclosed
EP-1828172-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY Novartis AG (CH) 2007-09-05 EP disclosed
WO-2006063763-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY NOVARTIS AG (CH) 2006-06-22 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 (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-20100087432-A1 PYRROLE DERIVATIVES HAVING CRTH2 RECEPTOR ANTAGONIST ACTIVITY PRLHR, AVPR2, CRHR2 S100A9 4497/4885KDM4E 2754/4885MCL1 4434/4885

“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.