SCHEMBL3604684

SCHEMBL3604684

Cc1nn(C)c(Oc2cc(CC(N)=NO)ccc2Cl)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.34
GAA P10253 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
ROCK2 O75116 3/20 0.33
GPBAR1 Q8TDU6 5/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HSP90AA1 P07900 2/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 1/20 0.30
BACE1 P56817 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
SCHEMBL3604682 1.00 HSD17B10 (0.38) HSD17B10LMNAGAACRHBPCRHR2
SCHEMBL3605106 0.82 GPBAR1 (0.36) LMNAGPBAR1KDM4EMAPTPOLB
SCHEMBL3610953 0.80 CYP4F2 (0.37) GPBAR1KDM4EMAPTSMN1; SMN2
SCHEMBL3614548 0.77 GPBAR1 (0.32) GPBAR1KDM4EMAPTPOLBSMN1; SMN2
SCHEMBL3610034 0.76 SLC22A12 (0.43) KDM4EMAPT
SCHEMBL3618268 0.75 GPBAR1 (0.41) GPBAR1KDM4EMAPT
SCHEMBL3603074 0.74 ALDH1A1 (0.38) HSD17B10LMNAGAAGPBAR1KDM4E
SCHEMBL3603069 0.74 ALDH1A1 (0.38) HSD17B10LMNAGAAGPBAR1KDM4E
SCHEMBL3605874 0.74 CYP4F2 (0.42) LMNAGPBAR1KDM4EPOLBSMN1; SMN2
SCHEMBL3605188 0.74 CA2 (0.43) HSD17B10GAAROCK2GPBAR1KDM4E

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 HSD17B10 390/4885LMNA 4306/4885GAA 405/4885

“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.