SCHEMBL2199127

SCHEMBL2199127

Cn1nc(C(=O)O)cc1-c1cccc(-c2cc3ccccc3o2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.45
MAOA P21397 1/20 0.45
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
NPY1R P25929 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
RPA1 P27694 2/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL2199129 0.83 KDM4E (0.46) MAOBMAOAALDH1A1KDM4EMEN1
SCHEMBL2201623 0.79 KDM4E (0.56) MAOBMAOAALDH1A1KDM4EMEN1
SCHEMBL570061 0.78 RPA1 (0.63) GRM5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2197040 0.77 GRIN2B (0.44) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL2199009 0.77 GRM5 (0.46) MAOBMAOAGRM5ALDH1A1KDM4E
SCHEMBL2202912 0.76 KDM1A (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2MKNK1
SCHEMBL1985314 0.74 ALDH1A1 (0.62) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL2203114 0.73 RPA1 (0.51) GRM5ALDH1A1MEN1KMT2ANPC1
SCHEMBL14758758 0.73 PPP1CA (0.56) GRM5ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4601674 0.73 MAOB (0.58) MAOBMAOAALDH1A1KDM4EMEN1

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 4 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

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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 MAOB 4540/4885MAOA 4691/4885GRM5 214/4885

“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.