SCHEMBL4231200

SCHEMBL4231200

O=c1cc(-c2ccc(F)cc2)cc[nH]1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.64
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
MAPK14 Q16539 2/20 0.52
ALDH2 P05091 7/20 0.48
MAPT P10636 1/20 0.47
TNKS2 Q9H2K2 1/20 0.46
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
MAP4K4 O95819 1/20 0.43
HDAC6 Q9UBN7 2/20 0.42
NPY5R Q15761 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
PGR P06401 1/20 0.41
BTK Q06187 1/20 0.38

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
SCHEMBL6042142 0.84 NOTUM (0.77) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL4102273 0.79 MAPK14 (0.53) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL3476831 0.79 NOTUM (0.64) NOTUMALDH2MAPTMAP4K4
SCHEMBL3901501 0.79 NOTUM (0.64) NOTUMALDH2MAP4K4HDAC6
SCHEMBL94548 0.79 NOTUM (0.64) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL133043 0.79 NOTUM (0.58) NOTUMALDH2MAP4K4HDAC6
SCHEMBL1136802 0.78 NOTUM (1.00) NOTUMALDH2MAPTTNKS2MAP4K4
SCHEMBL24196193 0.77 NOTUM (0.52) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL4096565 0.76 MAPK14 (0.47) NOTUMMAPK13MAPK12MAPK11MAPK14
SCHEMBL20532002 0.75 NOTUM (0.59) NOTUMMAPK13MAPK12MAPK11MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020224396-A1 COMPOUNDS INHIBITING TDG ACTIVITY 上海仕谱生物科技有限公司 2020-11-12 WO disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
US-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF ALBANY MOLECULAR RESEARCH, INC. (US) 2014-06-12 US disclosed
WO-2009137270-A2 AZETIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-11-12 WO disclosed
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 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-20140163012-A1 PYRIDO-/AZEPINO-BENZOFURAN AND PYRIDO-/AZEPINO-BENZOTHIOPHENE MCH-1 ANTAGONISTS, METHODS OF MAKING, AND USE THEREOF MCHR1, MCHR2, TAAR1 NOTUM 2457/4885MAPK13 3876/4885MAPK12 3619/4885

“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.