SCHEMBL20799495

SCHEMBL20799495

Cc1ccc(/C(=C/c2ccccc2)c2ccccc2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.44
ESR1 P03372 1/20 0.42
CYP19A1 P11511 2/20 0.41
CYP11B2 P19099 2/20 0.41
NFE2L2 Q16236 1/20 0.40
ALOX15 P16050 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL17967362 0.81 SMN1; SMN2 (0.44) PTGS2ESR1CYP19A1CYP11B2ALOX15
SCHEMBL17967369 0.81 MAPT (0.47) PTGS2ESR1CYP19A1CYP11B2MAPT
SCHEMBL17967358 0.81 SMN1; SMN2 (0.44) PTGS2ESR1CYP19A1CYP11B2ALOX15
SCHEMBL17967368 0.81 MAPT (0.47) PTGS2ESR1CYP19A1CYP11B2MAPT
SCHEMBL17967365 0.81 NFE2L2 (0.42) NFE2L2ALOX15MAPTALDH1A1HSD17B10
SCHEMBL17967366 0.81 NFE2L2 (0.42) NFE2L2ALOX15MAPTALDH1A1HSD17B10
SCHEMBL17967346 0.81 MAPT (0.49) ESR1CYP19A1MAPTALDH1A1NPC1
SCHEMBL17967344 0.81 MAPT (0.49) ESR1CYP19A1MAPTALDH1A1NPC1
SCHEMBL8641797 0.80 MAPT (0.50) PTGS2ESR1CYP19A1CYP11B2MAPT
SCHEMBL7646238 0.80 MAPT (0.50) PTGS2ESR1CYP19A1CYP11B2MAPT

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 1 patent. 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

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-10227355-B2 Quinoline derivatives and preparation thereof ABL1, FLT3, MAP3K7 PTGS2 2381/4885ESR1 3106/4885CYP19A1 495/4885

“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.