SCHEMBL3605301

SCHEMBL3605301

COCOc1cc(OCc2ccccc2)c(Br)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN1 P18031 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
FFAR4 Q5NUL3 1/20 0.43
RAB9A P51151 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
BLM P54132 1/20 0.42
ABCB1 P08183 1/20 0.41
STAT3 P40763 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL17659021 0.85 MAPT (0.53) MAPTTDP1MAPK1L3MBTL1PTPN1
SCHEMBL3608070 0.83 L3MBTL1 (0.45) MAPTTDP1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL3603467 0.81 PTPN1 (0.50) MAPTL3MBTL1PTPN1SMN1; SMN2RAB9A
Toluene SCHEMBL27793177 0.79 L3MBTL1 (0.50) MAPTTDP1MAPK1L3MBTL1PTPN1
SCHEMBL27281421 0.79 MAPT (0.53) MAPTTDP1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL7606123 0.78 MAOB (0.50) PTPN1SMN1; SMN2RAB9AKDM4EABCB1
SCHEMBL17386359 0.78 MAOB (0.50) MAPTL3MBTL1SMN1; SMN2RAB9AGAA
SCHEMBL15980810 0.78 L3MBTL1 (0.40) MAPTTDP1L3MBTL1PTPN1SMN1; SMN2
SCHEMBL6202378 0.78 MAPT (0.60) MAPTTDP1MAPK1L3MBTL1GAA
SCHEMBL3610590 0.78 SMN1; SMN2 (0.49) MAPTTDP1MAPK1L3MBTL1SMN1; SMN2

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 MAPT 3754/4885TDP1 2502/4885MAPK1 470/4885

“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.