SCHEMBL4240844

SCHEMBL4240844

NC(=O)c1ccccn1.[AlH3]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
NAPRT Q6XQN6 1/20 0.61
P4HTM Q9NXG6 1/20 0.61
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.55
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
PKM P14618 5/20 0.54
MITF O75030 2/20 0.54
CDK5 Q00535 2/20 0.54
CDK5R1 Q15078 2/20 0.54
GSK3B P49841 1/20 0.53
MAPK1 P28482 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL61183 0.98
SCHEMBL4914089 0.98 CES2 (0.67) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL1505348 0.98
Hydrochloric Acid SCHEMBL17493405 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL16143265 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL31357681 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9094627 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
Ammonia Solution, Strong SCHEMBL902138 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
Hydrochloric Acid SCHEMBL1704886 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9064565 0.95 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101291975-B Novel catalytic materials and application thereof in the preparation of polymeric materials UNIV LEEDS 2014-01-15 CN disclosed
US-20090227762-A1 NOVEL CATALYTIC MATERIALS AND THEIR USE IN THE PREPARATION OF POLYMERIC MATERIALS UNIVERSITY OF LEEDS (GB) 2009-09-10 US disclosed
CN-101291975-A Novel catalytic materials and their use in the preparation of polymeric materials UNIV LEEDS (GB) 2008-10-22 CN disclosed
EP-1963397-A1 NOVEL CATALYTIC MATERIALS AND THEIR USE IN THE PREPARATION OF POLYMERIC MATERIALS UNIVERSITY OF LEEDS (GB) 2008-09-03 EP disclosed
EP-1098903-B1 METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA SA (FR) 2008-09-03 EP disclosed
WO-2007052009-A1 NOVEL CATALYTIC MATERIALS AND THEIR USE IN THE PREPARATION OF POLYMERIC MATERIALS UNIVERSITY OF LEEDS (GB) 2007-05-10 WO disclosed
EP-1040121-B1 NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES AVENTIS PHARMA (FR) 2004-07-21 EP disclosed
EP-1098903-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES Aventis Pharma S.A. (FR) 2001-05-16 EP disclosed
WO-1999067280-A1 NOVEL METHOD FOR PREPARING CYCLOSPORIN DERIVATIVES AVENTIS PHARMA S.A. (FR) 1999-12-29 WO 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-20090227762-A1 NOVEL CATALYTIC MATERIALS AND THEIR USE IN THE PREPARATION OF POLYMERIC MATERIALS LDHA, LDHB, ALAD CES2 1960/4885CES1 3512/4885LMNA 398/4885

“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.