SCHEMBL4299856

SCHEMBL4299856

O=c1ccc2ccccc2n1OCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
CA12 O43570 1/20 0.40
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CA9 Q16790 1/20 0.40
KAT2B Q92831 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 5/20 0.37
MEN1 O00255 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9284377 0.88 ALDH1A1 (0.58) ALDH1A1TSHRCA12BRD4BRPF1
SCHEMBL3501672 0.78 ALDH1A1 (0.60) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL31324227 0.74 CA12 (0.47) ALDH1A1TSHRCA12BRD4BRPF1
SCHEMBL15528124 0.72 ALDH1A1 (0.44) ALDH1A1TSHRBRD4ALOX15KMT2A
SCHEMBL10661265 0.71 CA12 (0.55) ALDH1A1TSHRCA12BRD4BRPF1
SCHEMBL8071670 0.71 ALOX15 (0.52) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL4299181 0.71 CA12 (0.43) ALDH1A1TSHRCA12BRD4BRPF1
SCHEMBL3735606 0.71 ALDH1A1 (0.40) ALDH1A1TSHRCA12BRD4BRPF1
SCHEMBL29433205 0.70 TDP1 (0.47) ALDH1A1TSHRCA12BRD4BRPF1
SCHEMBL8997121 0.69 ABCB1 (0.38) ALDH1A1HPGDHSD17B10CYP1A2POLB

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
US-20090281100-A1 Benzimidazole quinolinones and uses thereof BARSANTI PAUL A 2009-11-12 US disclosed
US-7470709-B2 Benzimidazole quinolinones and uses thereof NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-12-30 US disclosed
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma CHIRON CORPORATION 2005-11-24 US disclosed
US-20050256157-A1 Combination therapy with CHK1 inhibitors CHIRON CORPORATION 2005-11-17 US disclosed
US-20050203101-A1 Benzimidazole quinolinones and uses thereof CHIRON CORPORATION 2005-09-15 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 (4 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-20050256157-A1 Combination therapy with CHK1 inhibitors CHEK1, CHEK2, RAD1 ALDH1A1 3296/4885TSHR 3812/4885CA12 4506/4885
US-20050261307-A1 Inhibition of FGFR3 and treatment of multiple myeloma FGFR3, FGFR1, FGFR2 ALDH1A1 3003/4885TSHR 2539/4885CA12 898/4885
US-20090281100-A1 Benzimidazole quinolinones and uses thereof GAA, ALPI, IL4I1 ALDH1A1 276/4885TSHR 4324/4885CA12 1203/4885
US-20050203101-A1 Benzimidazole quinolinones and uses thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, PBRM1 ALDH1A1 1196/4885TSHR 3423/4885CA12 2655/4885

“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.