SCHEMBL4540359

SCHEMBL4540359

Cc1ccccc1C=Cc1ccnc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
KDM4E B2RXH2 3/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
NOS3 P29474 4/20 0.43
NOS1 P29475 4/20 0.43
NOS2 P35228 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
PABPC1 P11940 1/20 0.41
ALDH1A1 P00352 2/20 0.38
CHAT P28329 1/20 0.38
KDM1A O60341 1/20 0.38
GMNN O75496 1/20 0.38

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
SCHEMBL4540358 1.00 RAB9A (0.49) RAB9AKDM4EAPOBEC3AAPOBEC3GNOS3
SCHEMBL4533703 0.81 RAB9A (0.49) RAB9AKDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL4533699 0.81 RAB9A (0.49) RAB9AKDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL5865516 0.79 CYP19A1 (0.53) KDM4ENOS3NOS1NOS2MEN1
SCHEMBL5865513 0.79 CYP19A1 (0.53) KDM4ENOS3NOS1NOS2MEN1
SCHEMBL31380868 0.79 CYP19A1 (0.53) KDM4ENOS3NOS1NOS2MEN1
SCHEMBL8215767 0.75 RAB9A (0.56) RAB9AKDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL20741512 0.75 RAB9A (0.49) RAB9AKDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL20741511 0.75 RAB9A (0.49) RAB9AKDM4EAPOBEC3AAPOBEC3GMEN1
SCHEMBL30176184 0.75 RAB9A (0.49) RAB9AKDM4EAPOBEC3AAPOBEC3GMEN1

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 6 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
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
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 RAB9A 4417/4885KDM4E 4212/4885APOBEC3A 4814/4885

“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.