SCHEMBL11962196

SCHEMBL11962196

CCOC(=O)c1cc(N=O)c(N)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 3/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
JMJD6 Q6NYC1 1/20 0.40
KDM4E B2RXH2 5/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39

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
SCHEMBL11955135 0.86 TSHR (0.44) ALDH1A1HSD17B10GAAMAPK1TSHR
SCHEMBL1966248 0.84 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAMAPK1TSHR
SCHEMBL2596428 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10GAAMAPK1TSHR
SCHEMBL20362396 0.81 HTR4 (0.47) ALDH1A1HSD17B10GAATSHRKMT2A
SCHEMBL13108747 0.80 TSHR (0.39) ALDH1A1HSD17B10MAPK1TSHRMEN1
SCHEMBL17930512 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10GAAMAPK1TSHR
SCHEMBL11962194 0.78 ALDH1A1 (0.40) ALDH1A1HSD17B10GAAMAPK1TSHR
SCHEMBL11956092 0.77 ALDH1A1 (0.38) ALDH1A1HSD17B10TSHRKMT2AJMJD6
SCHEMBL23590720 0.77 TSHR (0.41) ALDH1A1HSD17B10GAAMAPK1TSHR
SCHEMBL11955480 0.77 TSHR (0.41) ALDH1A1HSD17B10GAAMAPK1TSHR

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-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX ALDH1A1 1761/4885HSD17B10 4020/4885GAA 1712/4885

“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.