SCHEMBL21799192

SCHEMBL21799192

Cc1ccc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.72
KDM4E B2RXH2 5/20 0.72
LMNA P02545 4/20 0.72
MAPT P10636 4/20 0.72
NPSR1 Q6W5P4 3/20 0.72
MEN1 O00255 2/20 0.72
KMT2A Q03164 2/20 0.72
RECQL P46063 1/20 0.72
HPGD P15428 4/20 0.63
HSP90AA1 P07900 3/20 0.63
THRB P10828 3/20 0.60
DHODH Q02127 3/20 0.60
HSD17B10 Q99714 1/20 0.56
GAA P10253 1/20 0.55
TOP1 P11387 2/20 0.55
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
TDP1 Q9NUW8 2/20 0.50

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
SCHEMBL27899449 0.91 ALDH1A1 (0.80) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL28318020 0.91 ALDH1A1 (0.80) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL18698068 0.91 ALDH1A1 (0.85) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL12453674 0.86 TOP1 (0.61) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL28175731 0.86 ALDH1A1 (0.71) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL27991439 0.85 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL13931511 0.84 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL28349800 0.84 DHODH (0.61) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL21799200 0.83 ACACA (0.74) ALDH1A1KDM4ELMNAMAPTNPSR1
SCHEMBL27986490 0.83 ACACA (0.74) ALDH1A1KDM4ELMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730838-B2 Green preparation method for quinoline compounds DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-08-04 US disclosed
US-10730838-B2 Green preparation method for quinoline compounds DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-08-04 US disclosed
US-20200079737-A1 GREEN PREPARATION METHOD FOR QUINOLINE COMPOUNDS DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2020-03-12 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 (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-20200079737-A1 GREEN PREPARATION METHOD FOR QUINOLINE COMPOUNDS NQO1, TYR, ABCG2 ALDH1A1 558/4885KDM4E 3307/4885LMNA 1360/4885
US-10730838-B2 Green preparation method for quinoline compounds NQO1, TYR, ABCG2 ALDH1A1 558/4885KDM4E 3307/4885LMNA 1360/4885

“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.