SCHEMBL75334

SCHEMBL75334

CCOc1ccccc1C1(N)C(=O)Nc2ccc(C#N)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.40
TRPV4 Q9HBA0 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
PDE5A O76074 1/20 0.36
AVPR1B P47901 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
AURKB Q96GD4 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
BRCA1 P38398 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 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
SCHEMBL1795281 0.84 TRPV4 (0.43) PGRTRPV4RXFP1PDE5AAVPR1B
SCHEMBL75146 0.84 KMT2A (0.50) PGRTRPV4RXFP1PDE5AAVPR1B
SCHEMBL1788080 0.84 PGR (0.40) PGRTRPV4AVPR1BAURKB
SCHEMBL16837188 0.84 PGR (0.40) PGRTRPV4AVPR1BAURKB
SCHEMBL1464210 0.81 KMT2A (0.40) PGRALDH1A1AURKBNPSR1KMT2A
SCHEMBL4510489 0.80 RXFP1 (0.42) PGRTRPV4RXFP1L3MBTL1ALDH1A1
SCHEMBL1801335 0.77 RXFP1 (0.40) PGRTRPV4RXFP1AVPR1BL3MBTL1
SCHEMBL73939 0.77 RXFP1 (0.38) PGRTRPV4RXFP1AVPR1BL3MBTL1
SCHEMBL1801337 0.76 LMNA (0.38) PGRTRPV4RXFP1L3MBTL1ALDH1A1
SCHEMBL16837191 0.74 SNCA (0.46) PGRAVPR1BALDH1A1AURKB

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-8202870-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-05-31 US disclosed
US-8129389-B2 Substituted oxindole derivatives, medicaments containing the latter and use thereof ABBOTT GMBH & CO. KG (DE) 2012-03-06 US disclosed
US-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-08-27 US disclosed
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof ABBOTT GMBH & CO. KG 2009-07-23 US disclosed
EP-1866304-A2 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-12-19 EP disclosed
EP-1861390-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF Abbott GmbH & Co. KG (DE) 2007-12-05 EP disclosed
WO-2006100080-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2006-09-28 WO disclosed
WO-2006100081-A2 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF ABBOTT GMBH & CO. KG (DE) 2006-09-28 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 (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-20090215790-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B PGR 317/4885TRPV4 1606/4885RXFP1 61/4885
US-20090186904-A1 Substituted Oxindole Derivatives, Medicaments Containing the Latter and Use Thereof OXTR, AVPR2, AVPR1B PGR 449/4885TRPV4 1033/4885RXFP1 65/4885
US-20120136001-A1 SUBSTITUTED OXINDOLE DERIVATIVES, MEDICAMENTS CONTAINING THE LATTER AND USE THEREOF OXTR, AVPR2, AVPR1B PGR 449/4885TRPV4 1033/4885RXFP1 65/4885

“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.