SCHEMBL17456331

SCHEMBL17456331

C=C(C)Cc1ncn(Cc2ccccc2)c1C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
RECQL P46063 1/20 0.48
MAPK10 P53779 1/20 0.48
TSHR P16473 2/20 0.46
GAA P10253 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
F2RL3 Q96RI0 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL17456303 0.85 PKM (0.59) SMN1; SMN2TSHRGAAPKMALDH1A1
SCHEMBL11213556 0.81 SMN1; SMN2 (0.55) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL1753091 0.79 SMN1; SMN2 (0.53) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL17456271 0.79 SMN1; SMN2 (0.53) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL2700156 0.76 SMN1; SMN2 (0.50) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL4958152 0.74 TSHR (0.54) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL2145110 0.73 TSHR (0.52) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL17465824 0.72 NOTUM (0.52) SMN1; SMN2MAPK1ALDH1A1KDM4EMAPT
SCHEMBL1753177 0.72 MAPK1 (0.55) SMN1; SMN2RECQLMAPK10TSHRGAA
SCHEMBL2145170 0.71 CYP19A1 (0.53) SMN1; SMN2RECQLMAPK10TSHRGAA

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
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-3172212-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-3172212-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2017-05-31 EP disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-9334285-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 WO disclosed
US-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 US disclosed
WO-2016014736-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-28 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-20160024105-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 SMN1; SMN2 4007/4885RECQL 1021/4885MAPK10 1204/4885

“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.