SCHEMBL1337598

SCHEMBL1337598

COc1ccc(Cl)c(-c2ccc(N)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.48
HSP90AB1 P08238 2/20 0.48
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
SCN10A Q9Y5Y9 3/20 0.43
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
KDM1A O60341 1/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KIT P10721 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL19785375 0.79 HSP90AA1 (0.56) HSP90AA1HSP90AB1SCN10ATDP1KDM1A
SCHEMBL321710 0.79 NPC1 (0.50) HSP90AA1HSP90AB1PRKAB2PRKAG1PRKAA2
SCHEMBL29386638 0.78 HSP90AA1 (0.45) HSP90AA1HSP90AB1SCN10AKDM1ACYP3A4
SCHEMBL1337556 0.77 HSP90AA1 (0.53) HSP90AA1HSP90AB1PRKAB2PRKAG1PRKAA2
SCHEMBL14055298 0.76 HSP90AA1 (0.55) HSP90AA1HSP90AB1TDP1MAPK1CYP3A4
SCHEMBL1337807 0.76 HSP90AA1 (0.49) HSP90AA1HSP90AB1SCN10AKDM1ACYP3A4
SCHEMBL10340365 0.75 AMY1A (0.50) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL1336743 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1SCN10ATDP1KDM1A
SCHEMBL1337734 0.74 HSP90AA1 (0.47) HSP90AA1HSP90AB1SCN10AKDM1ACYP3A4
SCHEMBL712310 0.73 TSHR (0.48) TDP1MAPK1CYP3A4ALDH1A1KIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758474-B2 Immunomodulator and anti-inflammatory compounds INCOZEN THERAPEUTICS PVT. LTD. (IN) 2017-09-12 US disclosed
US-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS INCOZEN THERAPEUTICS PVT. LTD. (CH) 2014-08-07 US disclosed
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS RHIZEN PHARMACEUTICALS SA (FR) 2011-11-10 US 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 (2 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-20140220050-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR HSP90AA1 547/4885HSP90AB1 479/4885PRKAB2 1473/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR HSP90AA1 547/4885HSP90AB1 479/4885PRKAB2 1473/4885

“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.