SCHEMBL2199851

SCHEMBL2199851

COc1ccc(C(F)(F)F)cc1NN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 1/20 0.47
MAPT P10636 6/20 0.47
KDM4E B2RXH2 7/20 0.46
KIF11 P52732 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
DHFR P00374 1/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
HTR6 P50406 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL17705668 0.84 HTT (0.49) DDB1CRBNL3MBTL1MAPTKDM4E
SCHEMBL2755833 0.84 DDB1 (0.49) DDB1CRBNL3MBTL1RAB9AMAPT
Hydrochloric Acid SCHEMBL29072709 0.82 DDB1 (0.48) DDB1CRBNL3MBTL1RAB9AMAPT
SCHEMBL7563968 0.82 MAPT (0.50) DDB1CRBNL3MBTL1RAB9AMAPT
SCHEMBL20655718 0.81 DDB1 (0.47) DDB1CRBNL3MBTL1RAB9AMAPT
SCHEMBL8658226 0.79 MAPT (0.55) DDB1CRBNL3MBTL1RAB9AMAPT
SCHEMBL6114199 0.79 MAPT (0.51) DDB1CRBNL3MBTL1MAPTKDM4E
SCHEMBL164777 0.79 MAPT (0.57) L3MBTL1MAPTKDM4EKIF11CYP1A2
SCHEMBL5468286 0.78 MAPT (0.54) DDB1CRBNMAPTKDM4ENPSR1
SCHEMBL20042462 0.78 KDM4E (0.48) DDB1CRBNL3MBTL1RAB9AMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO disclosed
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 US 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 (2 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 DDB1 3226/4885CRBN 1420/4885L3MBTL1 4149/4885
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 DDB1 3928/4885CRBN 4314/4885L3MBTL1 1265/4885

“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.