SCHEMBL3609229

SCHEMBL3609229

Cc1nn(C)c(Oc2cc(O)c(Cl)cc2C=O)c1C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
DPP4 P27487 8/20 0.33
ERN1 O75460 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL3601056 0.90 SMN1; SMN2 (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3614101 0.84 KDM4E (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3613885 0.83 KDM4E (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3614091 0.81 MAPT (0.34) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3607710 0.80 KDM4E (0.40) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3617798 0.79 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3609801 0.79 SMN1; SMN2 (0.55) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3606885 0.79 SMN1; SMN2 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3607110 0.78 KDM4E (0.38) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3611438 0.78 KDM4E (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801877-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2017-10-31 US disclosed
US-8637497-B2 AZA spiro alkane derivatives as inhibitors of metalloproteases INCYTE CORPORATION (US) 2014-01-28 US disclosed
US-7723349-B2 N-hydroxy-5-methyl-6-{[4-(3-methylphenyl)piperazin-1-yl]carbonyl}-5-azaspiro[2.5]octane-7-carboxamide for example; treating arthritis, cancer, cardiovascular disorders, skin disorders, inflammation and allergic conditions INCYTE CORPORATION (US) 2010-05-25 US disclosed
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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 (1 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R SMN1; SMN2 4515/4885CYP1A2 137/4885CYP2C9 145/4885

“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.