SCHEMBL3615674

SCHEMBL3615674

Cc1nn(C)c(Oc2cc(Br)c(Cl)cc2Cl)c1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR2F2 P24468 1/20 0.32

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
SCHEMBL3607296 0.82 SHMT2 (0.35) NMT1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3598992 0.82 SMN1; SMN2 (0.55) NMT1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3614101 0.82 KDM4E (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3605271 0.82 NPC1 (0.45) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3605235 0.81 NMT1 (0.35) NMT1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3609589 0.81 ALDH1A1 (0.39) NMT1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3613487 0.79 POLB (0.37) SMN1; SMN2CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL3611438 0.78 KDM4E (0.35) NMT1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3610953 0.75 CYP4F2 (0.37) NMT1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3608889 0.74 KDM4E (0.34) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NMT1 1023/4885SMN1; SMN2 4515/4885CYP1A2 137/4885

“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.