SCHEMBL4535498

SCHEMBL4535498

Cn1c(N)c(NCC(=O)Nc2nc3c(s2)CCc2cc(O)ccc2-3)c(=O)n(C)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
MAPT P10636 8/20 0.43
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 4/20 0.42
POLB P06746 1/20 0.41
XIAP P98170 1/20 0.40
DYRK1A Q13627 1/20 0.39
ROCK2 O75116 5/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.38

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
SCHEMBL15384358 0.81 MAPT (0.59) MAPTKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL11971497 0.73 KMT2A (0.55) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1814371 0.72 KMT2A (0.56) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1816593 0.71 KMT2A (0.60) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL12618256 0.70 TRPA1 (0.60)
SCHEMBL1813074 0.69 MAPT (0.63) MAPTKMT2ASMN1; SMN2MEN1KDM4E
SCHEMBL1813084 0.66 ADORA1 (0.63) MAPTKDM4EALDH1A1DYRK1A
SCHEMBL14754441 0.65 MEN1 (0.45) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL13671523 0.64 TRPA1 (0.57) ALOX5MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL1746834 0.64 ALOX5 (0.77) ALOX5MAPTKMT2ASMN1; SMN2MEN1

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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALOX5 1181/4885MAPT 2844/4885KMT2A 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.