SCHEMBL3757424

SCHEMBL3757424

Cc1cc(-c2ccncc2)cc(C)c1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CSNK1D P48730 1/20 0.42
CLK2 P49760 1/20 0.42
CSNK1G1 Q9HCP0 1/20 0.42
NOTUM Q6P988 1/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 1/20 0.41
FTO Q9C0B1 2/20 0.40
DHODH Q02127 3/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
PKMYT1 Q99640 2/20 0.40

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
SCHEMBL900744 0.83 CYP3A4 (0.54) ALDH1A1MAPK1SMN1; SMN2MAPTNOTUM
SCHEMBL2882724 0.82 KDM4E (0.47) ALDH1A1SMN1; SMN2MAPTCYP3A4ACHE
SCHEMBL17177741 0.81 CYP3A4 (0.52) ALDH1A1MAPK1SMN1; SMN2MAPTNOTUM
Hydrochloric Acid SCHEMBL4355572 0.81 CYP3A4 (0.52) ALDH1A1MAPK1SMN1; SMN2MAPTNOTUM
SCHEMBL10073220 0.80 CYP46A1 (0.53) ALDH1A1SMN1; SMN2LMNACYP3A4ACHE
SCHEMBL13543674 0.80 KIF11 (0.40) ALDH1A1CCNCCDK8LMNAMAPT
SCHEMBL23421721 0.78 RXRB (0.57) DHODHRXRARXRBCHUK
SCHEMBL4250594 0.78 GSK3B (0.47) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL19328880 0.77 NAPRT (0.43) NAPRTALDH1A1MAPK1CCNCCDK8
SCHEMBL7619226 0.77 AKR1C3 (0.40) MAPK1CCNCCDK8LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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 (3 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 NAPRT 1213/4885ALDH1A1 3358/4885MAPK1 1005/4885
US-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 NAPRT 1213/4885ALDH1A1 3358/4885MAPK1 1005/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 NAPRT 1213/4885ALDH1A1 3358/4885MAPK1 1005/4885

“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.