SCHEMBL6731240

SCHEMBL6731240

Cc1ccc(-c2ccccc2[N+](=O)[O-])o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
KMT2A Q03164 7/20 0.52
MAPT P10636 7/20 0.52
NPC1 O15118 6/20 0.52
MEN1 O00255 6/20 0.52
RAB9A P51151 5/20 0.52
MAPK1 P28482 5/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 2/20 0.52
APAF1 O14727 1/20 0.52
SLC9A1 P19634 1/20 0.52
TDP1 Q9NUW8 3/20 0.51
PKM P14618 2/20 0.51
PDE4B Q07343 2/20 0.51
LMNA P02545 2/20 0.50
PRMT5 O14744 1/20 0.50
BLM P54132 1/20 0.50
WDR77 Q9BQA1 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
SCHEMBL3400235 0.87 ALDH1A1 (0.59) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL13990244 0.80 TSHR (0.53) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL16924614 0.80 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL6731238 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL16316318 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL14112770 0.79 ALDH1A1 (0.49) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL22171703 0.78 KMT2A (0.54) ALDH1A1KMT2AMAPTMEN1L3MBTL1
SCHEMBL9476229 0.78 SLC9A1 (0.65) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL2322204 0.77 KMT2A (0.61) ALDH1A1KMT2AMAPTNPC1MEN1
SCHEMBL2322196 0.77 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 US claimed
US-10287283-B2 Read-through compound prodrugs suppressing premature nonsense mutations THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-14 US disclosed
US-20190084973-A1 READ-THROUGH COMPOUND PRODRUGS SUPPRESSING PREMATURE NONSENSE MUTATIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-21 US disclosed
US-20160333003-A1 READ-THROUGH COMPOUND PRODRUGS SUPPRESSING PREMATURE NONSENSE MUTATIONS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-17 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
US-20120010259-A1 Methods of Treating an Overweight or Obese Subject ZAFGEN, INC. 2012-01-12 US disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7262212-B2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-28 US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 US disclosed
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use SMITH CHARLES D (US) 2004-01-22 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 (7 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 ALDH1A1 2674/4885KMT2A 2604/4885MAPT 4160/4885
US-20120010259-A1 Methods of Treating an Overweight or Obese Subject METAP2, METAP1, ACER2 ALDH1A1 802/4885KMT2A 444/4885MAPT 3100/4885
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 ALDH1A1 372/4885KMT2A 1440/4885MAPT 1578/4885
US-20190084973-A1 READ-THROUGH COMPOUND PRODRUGS SUPPRESSING PREMATURE NONSENSE MUTATIONS UPF1, NUDT21, RNMT ALDH1A1 3413/4885KMT2A 1096/4885MAPT 269/4885
US-20160333003-A1 READ-THROUGH COMPOUND PRODRUGS SUPPRESSING PREMATURE NONSENSE MUTATIONS UPF1, NUDT21, RNMT ALDH1A1 3413/4885KMT2A 1096/4885MAPT 269/4885
US-20040014764-A1 N-myristoyltransferase inhibitor compositions and methods of use NMT2, NMT1, MBOAT1 ALDH1A1 4793/4885KMT2A 440/4885MAPT 133/4885
US-10287283-B2 Read-through compound prodrugs suppressing premature nonsense mutations UPF1, NUDT21, RNMT ALDH1A1 3413/4885KMT2A 1096/4885MAPT 269/4885

“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.