SCHEMBL1874396

SCHEMBL1874396

Cc1ccc(CNS(N)(=O)=O)cc1.O=C(O)c1cc(Br)cc2c1ccn2-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
CISD1 Q9NZ45 1/20 0.39
NR3C2 P08235 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 5/20 0.38
ALKBH5 Q6P6C2 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36

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
SCHEMBL1896199 0.90 MAPT (0.40) MAPTRXFP1TP53LMNAPOLB
SCHEMBL1135847 0.85 CCR1 (0.49)
SCHEMBL12076570 0.81 KDM4E (0.44) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL1135827 0.76 CCR1 (0.51)
SCHEMBL1874395 0.75 CCR1 (0.56) MAPTTP53LMNAPOLBALDH1A1
SCHEMBL1135749 0.75 CCR1 (0.49)
SCHEMBL12670105 0.74 CCR1 (0.48) MAPTRXFP1TP53LMNAPOLB
SCHEMBL1135644 0.74 CCR1 (0.44) MAPTALDH1A1KMT2A
SCHEMBL1135615 0.74 CCR1 (0.49)
SCHEMBL1135922 0.74 CCR1 (0.56)

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
US-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US disclosed
EP-2493875-B1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-08-06 EP disclosed
US-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
EP-2493875-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-09-05 EP disclosed
WO-2011056440-A1 HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-12 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-20120270879-A1 Heterocyclic Compounds As CCR1 Receptor Antagonists CCR1, CCRL2, CCR3 MAPT 4439/4885RXFP1 90/4885TP53 4085/4885

“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.