SCHEMBL2654385

SCHEMBL2654385

COC(=O)c1ccc(NCc2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.63
CA2 P00918 3/20 0.63
ALDH1A1 P00352 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 2/20 0.49
EPHX2 P34913 1/20 0.49
RAB9A P51151 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2647011 1.00 CA1 (0.63) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2654897 0.92 CA1 (0.54) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL16767423 0.89 RAB9A (0.61) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL7560695 0.86 CA1 (0.47) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2647028 0.85 HAO1 (0.52) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7560701 0.85 GCGR (0.48) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL1790000 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2949436 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL2944396 0.85 ALDH1A1 (0.59) CA1CA2ALDH1A1SMN1; SMN2MAPT
SCHEMBL22453473 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2MAPTNPC1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190382422-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-12-19 US disclosed
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-08-13 US disclosed
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2019-08-13 US disclosed
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-09-21 US disclosed
US-9650399-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-05-16 US disclosed
US-9650399-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-05-16 US disclosed
US-9650399-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2017-05-16 US disclosed
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2015-06-11 US disclosed
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2015-06-11 US disclosed
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF UTI LIMITED PARTNERSHIP (CA) 2015-06-11 US disclosed
EP-2854819-A2 NEW SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF The Governing Council of the University of Toronto (CA) 2015-04-08 EP disclosed
WO-2013177534-A2 NEW SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2013-11-28 WO disclosed
US-20040152750-A1 Novel glucagon antagonists NOVO NORDISK A/S (DK) 2004-08-05 US disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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 (5 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-20190382422-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 CA1 1168/4885CA2 865/4885ALDH1A1 722/4885
US-20170267704-A1 SALICYLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, STAT6 CA1 1168/4885CA2 865/4885ALDH1A1 722/4885
US-20040152750-A1 Novel glucagon antagonists GLP1R, GCGR, GIPR CA1 4212/4885CA2 3563/4885ALDH1A1 4823/4885
US-10377780-B2 Salicylic acid derivatives, pharmaceutically acceptable salt thereof, composition thereof and method of use thereof STAT3, STAT5A, STAT6 CA1 1168/4885CA2 865/4885ALDH1A1 722/4885
US-20150158894-A1 SALICYCLIC ACID DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, COMPOSITION THEREOF AND METHOD OF USE THEREOF STAT3, STAT5A, JAK2 CA1 732/4885CA2 505/4885ALDH1A1 836/4885

“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.