SCHEMBL20474258

SCHEMBL20474258

CC(=O)Nc1cc(C)ccc1/C(C)=C/c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
NFE2L2 Q16236 1/20 0.43
MAPT P10636 5/20 0.43
MEN1 O00255 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
DHODH Q02127 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 3/20 0.41
KCNMA1 Q12791 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 1/20 0.40

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
SCHEMBL20474259 1.00 KMT2A (0.52) KMT2ANFE2L2MAPTMEN1RAB9A
SCHEMBL20474218 0.89 KMT2A (0.49) KMT2ANFE2L2MAPTMEN1RAB9A
SCHEMBL20474221 0.89 KMT2A (0.49) KMT2ANFE2L2MAPTMEN1RAB9A
SCHEMBL6891543 0.78 KMT2A (0.55) KMT2AMEN1ALDH1A1HPGDHSD17B10
SCHEMBL6546334 0.77 NFE2L2 (0.55) KMT2ANFE2L2MAPTMEN1RAB9A
SCHEMBL17967377 0.76 ALDH1A1 (0.61) MAPTRAB9AALDH1A1NPSR1DHODH
SCHEMBL17967375 0.76 ALDH1A1 (0.61) MAPTRAB9AALDH1A1NPSR1DHODH
SCHEMBL17967365 0.74 NFE2L2 (0.42) KMT2ANFE2L2MAPTMEN1RAB9A
SCHEMBL17967366 0.74 NFE2L2 (0.42) KMT2ANFE2L2MAPTMEN1RAB9A
SCHEMBL12021288 0.72 SMN1; SMN2 (0.53) KMT2ARAB9AALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227355-B2 Quinoline derivatives and preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-03-12 US disclosed
US-20180237448-A1 NOVEL QUINOLINE DERIVATIVES AND PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-08-23 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-20180237448-A1 NOVEL QUINOLINE DERIVATIVES AND PREPARATION THEREOF ABL1, FLT3, MAP3K7 KMT2A 813/4885NFE2L2 623/4885MAPT 2812/4885
US-10227355-B2 Quinoline derivatives and preparation thereof ABL1, FLT3, MAP3K7 KMT2A 870/4885NFE2L2 736/4885MAPT 2415/4885

“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.