SCHEMBL3464010

SCHEMBL3464010

Cc1c(Cl)c(I)nn1CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ATM Q13315 1/20 0.40
RECQL P46063 1/20 0.40
P2RX7 Q99572 1/20 0.35
CCR1 P32246 1/20 0.34
POLB P06746 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
KMO O15229 1/20 0.34
MAPK8 P45983 1/20 0.34

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
SCHEMBL13682946 0.85 ALDH1A1 (0.67) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL111808 0.81 ALDH1A1 (0.67) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL13163347 0.78 KDM4E (0.38) ALDH1A1L3MBTL1KDM4ERECQLCCR1
SCHEMBL15679874 0.77 ALDH1A1 (0.52) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL14046017 0.77 ALDH1A1 (0.51) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL17229240 0.76 ALDH1A1 (0.51) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL3464061 0.75 KDM4E (0.50) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL2760501 0.75 ALDH1A1 (0.69) ALDH1A1LMNAL3MBTL1ATMRECQL
SCHEMBL15485146 0.75 ALDH1A1 (0.49) ALDH1A1GAALMNAL3MBTL1KDM4E
SCHEMBL1119950 0.75 KDM4E (0.69) ALDH1A1LMNAKDM4ERECQLCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
CN-100542534-C Substituted piperazines CHEMOCENTRYX INC (US) 2009-09-23 CN disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 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 (4 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-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 ALDH1A1 1354/4885GAA 4168/4885LMNA 4596/4885
US-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALDH1A1 951/4885GAA 3861/4885LMNA 4351/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ALDH1A1 951/4885GAA 3861/4885LMNA 4351/4885
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 ALDH1A1 1354/4885GAA 4168/4885LMNA 4596/4885

“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.