SCHEMBL15075719

SCHEMBL15075719

Cc1cc(NC(=O)Cn2cnc3[nH]c(=O)n(C)c(=O)c32)c2ccccc2n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ HTT P42858 4/20 0.50
▸ GALR3 O60755 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ OPRK1 P41145 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ USP2 O75604 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL14754389 0.84 CYP1A2 (0.70) SMN1; SMN2CYP1A2ALDH1A1POLBKMT2A
SCHEMBL15075832 0.83 LMNA (0.51) SMN1; SMN2HTTRAB9ACYP1A2ALDH1A1
SCHEMBL15075863 0.80 TP53 (0.51) SMN1; SMN2HTTCYP1A2ALDH1A1POLB
SCHEMBL15075675 0.78 CYP1A2 (0.46) SMN1; SMN2CYP1A2ALDH1A1NPSR1ALOX15
SCHEMBL14754492 0.77 RXFP1 (0.47) SMN1; SMN2CYP1A2ALDH1A1POLBKMT2A
SCHEMBL19036472 0.75 CNOT7 (0.51) SMN1; SMN2CYP1A2ALDH1A1POLBMEN1
SCHEMBL1065735 0.74 LMNA (0.59) SMN1; SMN2ALDH1A1MEN1KMT2ATSHR
SCHEMBL15075818 0.73 CYP1A2 (0.49) SMN1; SMN2CYP1A2ALDH1A1POLBMEN1
SCHEMBL12605662 0.73 HTT (0.61) SMN1; SMN2HTTGALR3RAB9AALDH1A1
SCHEMBL14754387 0.72 RXFP1 (0.72) ALDH1A1POLBMEN1KMT2ATSHR

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 SMN1; SMN2 1895/4885HTT 4377/4885GALR3 954/4885

“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.

Send feedback