SCHEMBL1761815

SCHEMBL1761815

N=C(NO)c1ccc2c(c1)ncn2-c1cccc(-c2ccccc2)c1CN1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
FGFR1 P11362 4/20 0.40
SRC P12931 3/20 0.40
KDR P35968 1/20 0.39
HPGD P15428 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HIF1A Q16665 1/20 0.36
EPAS1 Q99814 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
TP53 P04637 1/20 0.35
MCHR1 Q99705 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1761680 0.82 HPGD (0.45) HDAC1HDAC2FGFR1SRCKDR
SCHEMBL1761944 0.73 HPGD (0.48) FGFR1SRCKDRHPGDALDH1A1
SCHEMBL1761731 0.70 HPGD (0.43) FGFR1HPGDALDH1A1SMN1; SMN2
SCHEMBL1762234 0.70 TP53 (0.47) FGFR1HPGDALDH1A1TP53
SCHEMBL1761799 0.70 HPGD (0.40) FGFR1HPGDALDH1A1LMNAHTT
SCHEMBL1762114 0.68 GABRA1 (0.47) FGFR1HPGDALDH1A1TP53SMN1; SMN2
SCHEMBL1762285 0.68 HPGD (0.48) FGFR1HPGDALDH1A1LMNAKMT2A
SCHEMBL1761786 0.68 FGFR1 (0.54) HDAC1HDAC2FGFR1SRCKDR
SCHEMBL1761684 0.67 HPGD (0.59) FGFR1KDRHPGDALDH1A1SMN1; SMN2
SCHEMBL1761797 0.67 GABRA1 (0.45) FGFR1SRCHPGDALDH1A1KMT2A

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-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX SANIONA A/S (DK) 2011-05-19 US claimed

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-20110118259-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE FOR MODULATING THE GABAA RECEPTOR COMPLEX GABRB2, GABRB1, GABRB3 HDAC1 440/4885HDAC2 270/4885FGFR1 3907/4885

“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.