SCHEMBL4483064

SCHEMBL4483064

NN(C(=O)c1cccnc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.61
GAA P10253 3/20 0.60
TSHR P16473 1/20 0.60
ALDH1A1 P00352 3/20 0.55
APP P05067 1/20 0.55
HCAR3 P49019 1/20 0.55
HCAR2 Q8TDS4 1/20 0.55
F7 P08709 1/20 0.53
F3 P13726 1/20 0.53
SARM1 Q6SZW1 1/20 0.53
SIRT2 Q8IXJ6 1/20 0.53
SIRT6 Q8N6T7 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
SIRT3 Q9NTG7 1/20 0.53
SIRT5 Q9NXA8 1/20 0.53
SIRT4 Q9Y6E7 1/20 0.53
PLOD2 O00469 1/20 0.51
CYP3A4 P08684 2/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL28019723 0.90 HTT (0.54) HTTGAATSHRALDH1A1APP
SCHEMBL13817566 0.86 HTT (0.65) HTTGAATSHRALDH1A1APP
SCHEMBL407836 0.82 L3MBTL1 (0.50) HTTGAATSHRALDH1A1CYP3A4
SCHEMBL27468109 0.81 HTT (0.63) HTTGAATSHRALDH1A1APP
SCHEMBL27660439 0.81 KMT2A (0.64) HTTGAAALDH1A1PLOD2CYP3A4
SCHEMBL6227030 0.80 F7 (0.62) HTTGAATSHRALDH1A1APP
Hydrochloric Acid SCHEMBL8355067 0.80 ADRA2C (0.49) HTTGAATSHRALDH1A1CYP3A4
SCHEMBL5359653 0.80 TSHR (0.49) HTTGAATSHRALDH1A1APP
SCHEMBL17591716 0.79 HTT (0.56) HTTGAATSHRALDH1A1APP
SCHEMBL9284893 0.78 F7 (0.59) HTTGAATSHRALDH1A1APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 HTT 1909/4885GAA 254/4885TSHR 4036/4885

“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.