SCHEMBL2811367

SCHEMBL2811367

Nc1cc(C(=O)c2cc(N)c(N)c(Cl)c2)cc(Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.43
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
SRD5A2 P31213 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TTR P02766 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 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
SCHEMBL5981527 0.88 HSD11B1 (0.52) HSD11B1ALDH1A1POLBSRD5A2CYP3A4
SCHEMBL1759305 0.84 TTR (0.56) HSD11B1ALDH1A1POLBSRD5A2CYP3A4
SCHEMBL10467015 0.83 PRKCI (0.43) HSD11B1ALDH1A1POLBCYP3A4GAA
SCHEMBL2813230 0.80 TTR (0.50) ALDH1A1POLBSRD5A2CYP3A4GAA
SCHEMBL31473460 0.78 KDM4E (0.51) ALDH1A1POLBGAAMAPTMAPK1
SCHEMBL1759210 0.78 KDM4E (0.51) ALDH1A1POLBGAAMAPTMAPK1
SCHEMBL10609508 0.77 SRD5A2 (0.55) ALDH1A1POLBSRD5A2MAPTMAPK1
SCHEMBL27620600 0.77 ALDH1A1 (0.56) HSD11B1ALDH1A1POLBSRD5A2GAA
SCHEMBL2812669 0.73 TDP1 (0.47) ALDH1A1POLBCYP3A4GAAMAPT
SCHEMBL437529 0.73 ALDH1A1 (0.66) ALDH1A1POLBSRD5A2CYP3A4GAA

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B HSD11B1 450/4885ALDH1A1 401/4885POLB 1474/4885

“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.