SCHEMBL10144303

SCHEMBL10144303

Cc1cccc(Nc2ncccc2C(=O)O)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.71
KMT2A Q03164 8/20 0.71
RAB9A P51151 5/20 0.71
LMNA P02545 4/20 0.71
NPC1 O15118 4/20 0.71
MAPT P10636 4/20 0.71
DHODH Q02127 8/20 0.70
PKM P14618 2/20 0.70
HTT P42858 2/20 0.70
MAPK1 P28482 1/20 0.70
ALDH1A1 P00352 4/20 0.66
GMNN O75496 1/20 0.66
TTR P02766 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
NFKB1 P19838 1/20 0.66
UGT1A1 P22309 1/20 0.66
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66

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
SCHEMBL5083062 0.87 RAB9A (0.72) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL7272758 0.86 KMT2A (0.60) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL6324644 0.84 DHODH (0.72) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL12431830 0.84 DHODH (0.77) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL3455093 0.83 MEN1 (0.67) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL479877 0.83 DHODH (1.00) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL4905983 0.83 DHODH (0.72) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL15636690 0.83 LMNA (0.78) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL26742261 0.83 HTT (0.56) MEN1KMT2ARAB9ALMNANPC1
SCHEMBL5256676 0.82 MEN1 (0.65) MEN1KMT2ARAB9ALMNANPC1

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-20160082132-A1 COMPOSITIONS AND METHODS FOR CHEMICAL EXCHANGE SATURATION TRANSFER (CEST) BASED MAGNETIC RESONANCE IMAGING (MRI) THE JOHNS HOPKINS UNIVERSITY (US) 2016-03-24 US disclosed
US-8466291-B2 1,5-dideoxy-1,5-imino-D-glucitol compounds ACADEMIA SINICA (TW) 2013-06-18 US disclosed
US-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX CORNING INCORPORATED 2012-01-26 US disclosed
US-4786642-A ANTIULCER SOCIETE ANONYME: CARPIBEM (FR) 1988-11-22 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-20120022116-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX GPR35, GPR65, GPR68 MEN1 4026/4885KMT2A 4109/4885RAB9A 2178/4885
US-20160082132-A1 COMPOSITIONS AND METHODS FOR CHEMICAL EXCHANGE SATURATION TRANSFER (CEST) BASED MAGNETIC RESONANCE IMAGING (MRI) GART, SLC43A1, AADAT MEN1 2520/4885KMT2A 904/4885RAB9A 2303/4885

“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.