SCHEMBL10193005

SCHEMBL10193005

CC1=C(C)Sc2ccc(C(F)(F)F)cc2N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
ALDH1A1 P00352 1/20 0.65
HPGD P15428 1/20 0.65
ALOX15 P16050 1/20 0.65
HSD17B10 Q99714 1/20 0.65
NOX1 Q9Y5S8 2/20 0.59
CYBB P04839 1/20 0.59
NOX3 Q9HBY0 1/20 0.59
NOX4 Q9NPH5 1/20 0.59
JUN P05412 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PTPN5 P54829 1/20 0.41
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
KIF11 P52732 3/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL6998043 0.84 NOX1 (0.56) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL7690724 0.80 MAPT (0.58) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL23059883 0.80 NOX1 (0.69) MAPTALDH1A1HPGDALOX15HSD17B10
Phenothiazine SCHEMBL6532335 0.75 NOX1 (1.00) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL560225 0.75 NOX1 (1.00) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL29475150 0.75 NOX1 (1.00) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL10193003 0.74 NOX1 (0.56) MAPTALDH1A1HPGDALOX15HSD17B10
Benzene SCHEMBL29242186 0.73 NOX1 (0.97) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL11375009 0.71 NOX1 (0.69) MAPTALDH1A1HPGDALOX15HSD17B10
SCHEMBL6999835 0.71 NOX1 (0.56) MAPTALDH1A1HPGDALOX15HSD17B10

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-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 US disclosed
US-8178077-B2 Drug development target protein and target gene, and method of screening REVERSE PROTEOMICS RESEARCH INSTITUTE CO., LTD. (JP) 2012-05-15 US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 US disclosed
US-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING REVERSE PROTEOMICS RESEARCH INSTITUTE CO. (JP) 2009-09-17 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 (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-20090233274-A1 DRUG DEVELOPMENT TARGET PROTEIN AND TARGET GENE, AND METHOD OF SCREENING NCS1, PRSS12, TPX2 MAPT 214/4885ALDH1A1 4286/4885HPGD 3875/4885

“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.