SCHEMBL15075697

SCHEMBL15075697

CCOc1ccc(C2=CSCN2C)c(N2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TP53 P04637 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
CYP3A4 P08684 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CSF1R P07333 1/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
KDM4E B2RXH2 4/20 0.37

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
SCHEMBL18175192 0.75 PTGS2 (0.42) MAPTTP53KMT2ANPC1RAB9A
SCHEMBL11140353 0.73 TSHR (0.54) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL19626519 0.72 HTT (0.54) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL30180181 0.72 MEN1 (0.50) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL4530178 0.72 MEN1 (0.45) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL17626017 0.72 MEN1 (0.45) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL5092070 0.71 MEN1 (0.54) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL19625508 0.70 MEN1 (0.44) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL17872075 0.68 CSF1R (0.54) MAPTTP53KMT2ACYP1A2CYP2D6
SCHEMBL27937044 0.68 MAPT (0.52) MAPTTP53KMT2ACYP1A2CYP2D6

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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 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-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 MAPT 2844/4885TP53 1505/4885KMT2A 2953/4885

“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.