SCHEMBL4040058

SCHEMBL4040058

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)Nc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ANPEP P15144 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
PKM P14618 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL4046147 0.83 TSHR (0.44) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL4039656 0.83 HDAC1 (0.42) ALDH1A1GAAPOLBHDAC3HDAC4
SCHEMBL4045052 0.83 LMNA (0.46) POLBKMT2ASMN1; SMN2
SCHEMBL4342649 0.82 SMN1; SMN2 (0.52) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL4039621 0.82 CCNA2 (0.46) GAASMN1; SMN2NPC1RAB9AAURKB
SCHEMBL4042233 0.81 PKM (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4043128 0.80 PKM (0.48) ALDH1A1GAAMEN1KMT2ASMN1; SMN2
SCHEMBL4044987 0.78 MMP8 (0.51) ALDH1A1GAAKMT2A
SCHEMBL4041195 0.74 MMP1 (0.41)
SCHEMBL3936972 0.74 REN (0.47) ALDH1A1KMT2ACYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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 (2 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 ALDH1A1 3369/4885GAA 2905/4885POLB 2141/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS ALDH1A1 4117/4885GAA 4567/4885POLB 2885/4885

“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.