SCHEMBL4560915

SCHEMBL4560915

O=C(CC(=O)C(F)(F)F)c1ccnc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 3/20 0.61
PLOD3 O60568 2/20 0.61
PLOD1 Q02809 2/20 0.61
SMARCA2 P51531 5/20 0.43
SMARCA4 P51532 4/20 0.43
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
GRM5 P41594 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC4 P56524 1/20 0.37
PREP P48147 1/20 0.36
PROKR1 Q8TCW9 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
CYP11B1 P15538 1/20 0.35

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
SCHEMBL25334034 0.81 PLOD2 (0.61) PLOD2PLOD3PLOD1SMARCA2SMARCA4
SCHEMBL7220421 0.79 TAS1R3 (0.49) PLOD2PLOD3PLOD1SMARCA2SMARCA4
SCHEMBL30866516 0.76 GSK3B (0.48) SMARCA2SMARCA4TAS1R3TAS1R1TAS1R2
SCHEMBL1924749 0.76 PLOD2 (1.00) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL4101750 0.76 GSK3B (0.48) SMARCA2SMARCA4TAS1R3TAS1R1TAS1R2
SCHEMBL8099539 0.76 PLOD2 (0.56) PLOD2PLOD3PLOD1
SCHEMBL29446533 0.76 KMT2A (0.47) SMARCA2SMARCA4TAS1R3TAS1R1TAS1R2
SCHEMBL17336750 0.76 KMT2A (0.47) SMARCA2SMARCA4TAS1R3TAS1R1TAS1R2
SCHEMBL1349410 0.76 PLOD2 (0.59) PLOD2PLOD3PLOD1MEN1KMT2A
SCHEMBL15907862 0.75 PLOD2 (0.49) PLOD2PLOD3PLOD1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
US-8722709-B2 Mineralocorticoid receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-13 US disclosed
EP-2638012-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-09-18 EP disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
US-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2012-11-15 US disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 WO disclosed
WO-2012064631-A1 PYRIDYL UREAS AS MINERALOCORTICOID RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-18 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-20120289551-A1 MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, MC2R, AVPR2 PLOD2 4609/4885PLOD3 3461/4885PLOD1 4847/4885

“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.