SCHEMBL4488041

SCHEMBL4488041

NC(=O)c1c[c]ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
METAP2 P50579 1/20 0.33
GRK6 P43250 1/20 0.33
LIMK1 P53667 2/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL1196449 0.83 KDM4E (0.47) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL29287448 0.83 MAPT (0.38) IKBKBMAPTALDH1A1KMT2AMEN1
SCHEMBL12970754 0.82 ALDH1A1 (0.38) IKBKBMAPTALDH1A1KMT2AMEN1
SCHEMBL4116744 0.78 KDM4E (0.50) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL11004280 0.78 SIRT3 (0.47) IKBKBMAPTALDH1A1KMT2AMEN1
SCHEMBL4806709 0.77 KMT2A (0.41) MAPTALDH1A1KMT2AKDM4EHSD17B10
SCHEMBL5777262 0.77 ERN1 (0.38) MAPTALDH1A1KMT2AMEN1MAPK1
SCHEMBL1476008 0.77 DGAT1 (0.41) IKBKBMAPTALDH1A1KMT2AMEN1
SCHEMBL1196349 0.76 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL28406195 0.76 SMN1; SMN2 (0.37) ALDH1A1KMT2AMEN1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086911-B Oligomer, polyimide film/fiber containing oligomer and preparation method of polyimide film/fiber containing oligomer UNIV SICHUAN 2014-09-03 CN claimed
CN-102677225-B Aromatic polyamide/aromatic polyimide blended fiber and preparation method thereof UNIV SICHUAN 2014-03-12 CN claimed
CN-103086911-A Oligomer, polyimide film/fiber containing oligomer and preparation method of polyimide film/fiber containing oligomer UNIV SICHUAN 2013-05-08 CN claimed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP claimed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO claimed
CN-102677225-B Aromatic polyamide/aromatic polyimide blended fiber and preparation method thereof UNIV SICHUAN 2014-03-12 CN disclosed
US-7501451-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-10 US disclosed
US-7071219-B2 Mono-acylated o-phenylendiamines derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
US-20060089403-A1 Mono-acylated o-phenylendiamines derivatives FERTIG GEORG 2006-04-27 US disclosed
EP-1592667-A2 NEW MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-11-09 EP disclosed
WO-2004069803-A2 MONO-ACYLATED O-PHENYLENDIAMINES DERIVATIVES AND THEIR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2004-08-19 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-20060089403-A1 Mono-acylated o-phenylendiamines derivatives HDAC1, HDAC10, HDAC11 IKBKB 2764/4885MAPT 2800/4885ALDH1A1 111/4885

“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.