SCHEMBL5653386

SCHEMBL5653386

NCC(=O)NCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
TRPV1 Q8NER1 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.55
TP53 P04637 1/20 0.55
TAOK1 Q7L7X3 1/20 0.54
TAOK3 Q9H2K8 1/20 0.54
AOC3 Q16853 2/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 1/20 0.54
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
P2RX7 Q99572 2/20 0.52
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
F7 P08709 1/20 0.52
APEX1 P27695 1/20 0.49
EPHX2 P34913 1/20 0.49

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
Hydrochloric Acid SCHEMBL18130570 0.98 TSHR (0.61) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL11305715 0.87 TSHR (0.69) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL16649582 0.85 CNR2 (0.52) TSHRTRPV1AOC3MEN1KMT2A
SCHEMBL9823912 0.85 TSHR (0.66) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL4035255 0.84 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL31248395 0.84 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL13683247 0.84 TSHR (0.65) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL7937579 0.83 TSHR (0.63) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL6361222 0.83 TSHR (0.68) TSHRTRPV1SMN1; SMN2LMNATP53
SCHEMBL30259914 0.83 TSHR (0.68) TSHRTRPV1SMN1; SMN2LMNATP53

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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-08 US disclosed
US-10676446-B2 Bicyclic quinazolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-09 US disclosed
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-02-01 US disclosed
WO-2016162390-A1 BICYCLIC QUINAZOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-10-13 WO disclosed
US-20070208166-A1 Tao Kinase Modulators And Method Of Use EXELIXIS, INC. (US) 2007-09-06 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-20200317624-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 TSHR 1237/4885TRPV1 2596/4885SMN1; SMN2 2930/4885
US-20180029996-A1 BICYCLIC QUINAZOLINONE DERIVATIVES BRD4, BICRA, NDUFC2 TSHR 1237/4885TRPV1 2596/4885SMN1; SMN2 2930/4885
US-10676446-B2 Bicyclic quinazolinone derivatives BRD4, BICRA, NDUFC2 TSHR 1237/4885TRPV1 2596/4885SMN1; SMN2 2930/4885
US-20070208166-A1 Tao Kinase Modulators And Method Of Use TAOK1, TAOK3, MAP3K6 TSHR 2539/4885TRPV1 3739/4885SMN1; SMN2 4552/4885

“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.