SCHEMBL1337232

SCHEMBL1337232

COc1cc(F)cc(-c2cc(F)c(N)c(Cl)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM1A O60341 1/20 0.36
PGR P06401 2/20 0.36
LRRK2 Q5S007 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2E1 P05181 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP4B1 P13584 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP2A7 P20853 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
SCHEMBL1337757 0.88 KDM1A (0.40) KDM1APGRLRRK2TAAR1CYP1A1
SCHEMBL1337048 0.87 CA1 (0.37) CA1CA2CA9KDM1ATAAR1
SCHEMBL1337769 0.78 KDM1A (0.39) KDM1ATAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL1337734 0.75 HSP90AA1 (0.47) CA1CA2CA9KDM1ATAAR1
SCHEMBL1335442 0.75 HSP90AA1 (0.40) KDM1ACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1336715 0.73 ALDH1A1 (0.44) CYP3A4PTGS2ALDH1A1
SCHEMBL1337498 0.73 DYRK1A (0.54) CYP3A4PTGS2ALDH1A1
SCHEMBL21586168 0.73 ABL1 (0.48) KDM1APGRCYP1A1CYP1B1CYP1A2
SCHEMBL899027 0.70 CA1 (0.52) CA1CA2CA9KDM1ACYP3A4
SCHEMBL29507672 0.70 CA1 (0.52) CA1CA2CA9KDM1ACYP3A4

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 CA1 2391/4885CA2 1430/4885CA9 2095/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR CA1 2391/4885CA2 1430/4885CA9 2095/4885

“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.