SCHEMBL1335447

SCHEMBL1335447

COc1cccc(-c2cc(Cl)c(N)c(Cl)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.55
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2E1 P05181 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP4B1 P13584 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP3A5 P20815 1/20 0.55
CYP2A7 P20853 1/20 0.55
CYP3A7 P24462 1/20 0.55
CYP2F1 P24903 1/20 0.55
CYP2C18 P33260 1/20 0.55
CYP2C19 P33261 1/20 0.55
CYP2J2 P51589 1/20 0.55
CYP4F2 P78329 1/20 0.55
CYP4F8 P98187 1/20 0.55
CYP4A11 Q02928 1/20 0.55

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
SCHEMBL3725544 0.84 CYP3A4 (0.57) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1335616 0.81 TP53 (0.54) CYP3A4KDM4EMAP4K4BACE1
SCHEMBL4083971 0.81 MAOB (0.51) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL196765 0.80 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29489425 0.80 CYP3A4 (0.73) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL792141 0.79 CYP1A1 (0.61) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL1335522 0.79 CYP3A4 (0.55) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL5620245 0.78 CYP3A4 (0.86) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Hydrogen Sulfide SCHEMBL28640169 0.78 CYP3A4 (0.70) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL29628977 0.78 CYP3A4 (0.77) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8

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 CYP3A4 1738/4885CYP1A1 1640/4885CYP1A2 1449/4885
US-20110275603-A1 NOVEL IMMUNOMODULATOR AND ANTI-INFLAMMATORY COMPOUNDS DHODH, DLD, DHFR CYP3A4 1738/4885CYP1A1 1640/4885CYP1A2 1449/4885

“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.