SCHEMBL3612380

SCHEMBL3612380

Cc1cc(Br)c(OCc2ccccc2)cc1Oc1c(C=O)c(C2CC2)nn1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER1 P34995 2/20 0.34
MCHR1 Q99705 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3595566 0.89 KDM4E (0.38) PTPN1HTR2AHTR2CPTGER1PKM
SCHEMBL3595561 0.89 KDM4E (0.38) PTPN1HTR2AHTR2CPTGER1PKM
SCHEMBL3599357 0.87 CYP1A2 (0.45) PTPN1HTR2AHTR2CRAB9ASMN1; SMN2
SCHEMBL3600881 0.84 HTR2A (0.37) PTPN1HTR2AHTR2CRAB9ASMN1; SMN2
SCHEMBL3613728 0.77 L3MBTL1 (0.40) PTPN1HTR2AHTR2CRAB9ASMN1; SMN2
SCHEMBL3608988 0.73 CYP1A2 (0.50) HTR2AHTR2CRAB9ASMN1; SMN2NPC1
SCHEMBL3605127 0.73 POLB (0.43) PTPN1HTR2AHTR2CRAB9ASMN1; SMN2
SCHEMBL3610906 0.70 ALDH1A1 (0.34) SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL3608298 0.69
SCHEMBL187045 0.68 MAPT (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MAPT

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 PTPN1 403/4885HTR2A 4427/4885HTR2C 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.