SCHEMBL1883370

SCHEMBL1883370

O=C(O)c1cc(O)cc2c1ccn2-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
LMNA P02545 4/20 0.45
NOTUM Q6P988 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
RORC P51449 1/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12076570 0.84 KDM4E (0.44) KDM4ELMNANOTUMMEN1KMT2A
SCHEMBL1876893 0.81 LMNA (0.43) KDM4ELMNANOTUMMEN1KMT2A
SCHEMBL1896199 0.81 MAPT (0.40) KDM4ELMNAMEN1KMT2AALDH1A1
SCHEMBL1872739 0.80 PTGS2 (0.42) KDM4ELMNANOTUMMEN1KMT2A
SCHEMBL2610313 0.79 KDM4E (0.50) KDM4ELMNANOTUMRORCALDH1A1
SCHEMBL1874580 0.77 KDM4E (0.45) KDM4ELMNANOTUMMEN1KMT2A
SCHEMBL698921 0.77 KDM4E (0.47) KDM4ELMNANOTUMMEN1KMT2A
SCHEMBL2610322 0.74 KCNH2 (0.47) KDM4ELMNANOTUMRORCKCNH2
SCHEMBL2610321 0.72 KCNH2 (0.47) KDM4ELMNANOTUMMEN1KMT2A
SCHEMBL1896198 0.72 CCR1 (0.57) LMNARORCALDH1A1MAPT

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-8927550-B2 Heterocyclic compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-06 US 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 KDM4E 4189/4885LMNA 3888/4885NOTUM 4489/4885

“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.