SCHEMBL17625258

SCHEMBL17625258

CC1(c2ccc(Oc3cnc4ccc(Oc5ccc(C6(C(F)(F)F)C=N6)cc5)cc4n3)cc2)N=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 7/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 2/20 0.35
CYP1A2 P05177 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
NFKB1 P19838 1/20 0.35
HIF1A Q16665 1/20 0.35
GMNN O75496 1/20 0.35
MAPT P10636 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
SCHEMBL20348936 0.87 HTT (0.40) HTTRAB9AALDH1A1MEN1NPC1
SCHEMBL17625255 0.86 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL17625254 0.81 RAB9A (0.33) RAB9A
SCHEMBL20336340 0.79 HTT (0.45) HTTRAB9AALDH1A1MEN1NPC1
SCHEMBL17625667 0.76 HTT (0.44) HTTRAB9AALDH1A1MEN1NPC1
SCHEMBL20355903 0.73 HTT (0.39) HTTRAB9AALDH1A1MEN1NPC1
SCHEMBL17642436 0.73 HTT (0.39) HTTRAB9AALDH1A1MEN1NPC1
SCHEMBL20348934 0.72 ALDH1A1 (0.34) ALDH1A1L3MBTL1HPGD
SCHEMBL20355902 0.70 HTT (0.36) HTTRAB9AALDH1A1MEN1NPC1
SCHEMBL17625242 0.69 MAOB (0.41)

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-9938241-B2 Diazirine compounds and compositions derived therefrom PROMERUS, LLC (US) 2018-04-10 US disclosed
US-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM SUMITOMO BAKELITE CO., LTD. (JP) 2016-03-24 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-20160083352-A1 DIAZIRINE COMPOUNDS AND COMPOSITIONS DERIVED THEREFROM RDX, AOX1, ALDH1A2 HTT 2389/4885RAB9A 2853/4885ALDH1A1 24/4885

“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.