SCHEMBL3606715

SCHEMBL3606715

Cc1nn(C)c(Oc2cc(OCc3ccccc3)c(C3OCCO3)cc2Cl)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.36
MAPK14 Q16539 2/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KMO O15229 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
STAT3 P40763 1/20 0.34
HTT P42858 1/20 0.34
PTGER1 P34995 4/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
AKR1B1 P15121 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 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
SCHEMBL3609621 0.97 RHEB (0.38) RHEBMAPK14HTR2CHTR2BKMO
SCHEMBL3607830 0.88 CYP1A2 (0.44) RHEBMAPK14HTR2CHTR2BKMO
SCHEMBL3613667 0.86 CYP1A2 (0.43) RHEBHTR2CHTR2BKMOSMN1; SMN2
SCHEMBL3604504 0.84 RHEB (0.41) RHEBMAPK14HTR2CSMN1; SMN2L3MBTL1
SCHEMBL3608409 0.80 GPBAR1 (0.31) MAPTGPBAR1KDM4E
SCHEMBL3610763 0.73 KMO (0.44) RHEBHTR2CHTR2BKMOSMN1; SMN2
SCHEMBL3613728 0.73 L3MBTL1 (0.40) MAPK14HTR2CSMN1; SMN2L3MBTL1MAPT
SCHEMBL31056266 0.72 HTR2C (0.46) HTR2CHTR2BSMN1; SMN2L3MBTL1MAPT
SCHEMBL3599086 0.72 NPC1 (0.40) HTR2CHTR2BKMOSMN1; SMN2MAPT
SCHEMBL3608988 0.71 CYP1A2 (0.50) RHEBMAPK14HTR2CSMN1; SMN2L3MBTL1

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 RHEB 2530/4885MAPK14 1026/4885HTR2C 3943/4885

“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.