SCHEMBL711162

SCHEMBL711162

CC(=O)Nc1cc(C(=O)O)cc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
KMT2A Q03164 5/20 0.57
MEN1 O00255 4/20 0.57
MAPT P10636 6/20 0.57
CASR P41180 1/20 0.56
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.50
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX5 P09917 1/20 0.49
TP53 P04637 1/20 0.47
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
PAX8 Q06710 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.45

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
SCHEMBL8374420 0.87 CASR (0.67) SMN1; SMN2KMT2AMEN1MAPTCASR
SCHEMBL7833515 0.86 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL7335938 0.86 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL19334378 0.85 MEN1 (0.44) SMN1; SMN2KMT2AMEN1MAPTCASR
SCHEMBL710603 0.84 LMNA (0.57) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL8763565 0.84 CASR (0.60) SMN1; SMN2KMT2AMEN1MAPTCASR
SCHEMBL14574199 0.83 MEN1 (0.56) SMN1; SMN2KMT2AMEN1MAPTCASR
SCHEMBL11073849 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KMT2AMEN1MAPTCASR
Acetone SCHEMBL28637824 0.81 TP53 (0.58) SMN1; SMN2KMT2AMEN1LMNAALDH1A1
SCHEMBL11582892 0.81 MEN1 (0.70) SMN1; SMN2KMT2AMEN1MAPTCASR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647135-A4 BIS-(SUBSTITUTED-PHENYL) DERIVATIVES WITH CYTOTOXIC AND ANTICANCER ACTIVITY. CANCER SOC AUCKLAND DIV NZ INC (NZ) 1995-07-05 EP claimed
EP-0647135-A1 BIS-(SUBSTITUTED-PHENYL) DERIVATIVES WITH CYTOTOXIC AND ANTICANCER ACTIVITY AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND (INCORPORATED) (NZ) 1995-04-12 EP claimed
WO-1994000115-A1 BIS-(SUBSTITUTED-PHENYL) DERIVATIVES WITH CYTOTOXIC AND ANTICANCER ACTIVITY AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND (INCORPORATED) (NZ) 1994-01-06 WO claimed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-9757375-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-12 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-9073896-B2 Compounds that inhibit human DNA ligases and methods of treating cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-07-07 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-04-24 US disclosed
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
US-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS TAKEDA SAN DIEGO, INC. 2010-03-18 US disclosed
WO-2007028135-A2 IMIDAZOPYRIDINE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-08 WO disclosed
EP-0647135-A4 BIS-(SUBSTITUTED-PHENYL) DERIVATIVES WITH CYTOTOXIC AND ANTICANCER ACTIVITY. CANCER SOC AUCKLAND DIV NZ INC (NZ) 1995-07-05 EP disclosed
EP-0647135-A1 BIS-(SUBSTITUTED-PHENYL) DERIVATIVES WITH CYTOTOXIC AND ANTICANCER ACTIVITY AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND (INCORPORATED) (NZ) 1995-04-12 EP disclosed
US-5331004-A Anticancer agents, crosslinking DNA CIRCADIAN PHARMACEUTICALS (AUSTRALIA) PTY. LTD. (AU) 1994-07-19 US disclosed
WO-1994000115-A1 BIS-(SUBSTITUTED-PHENYL) DERIVATIVES WITH CYTOTOXIC AND ANTICANCER ACTIVITY AUCKLAND DIVISION CANCER SOCIETY OF NEW ZEALAND (INCORPORATED) (NZ) 1994-01-06 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 (4 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-20100069431-A1 IMIDAZOPYRIDINE COMPOUNDS GCK, GCKR, KHK SMN1; SMN2 3631/4885KMT2A 2502/4885MEN1 2868/4885
US-20100099683-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 SMN1; SMN2 3912/4885KMT2A 1608/4885MEN1 2792/4885
US-20150313898-A1 COMPOUNDS THAT INHIBIT HUMAN DNA LIGASES AND METHODS OF TREATING CANCER LIG1, LIG4, LIG3 SMN1; SMN2 3912/4885KMT2A 1608/4885MEN1 2792/4885
US-20140113891-A1 Compounds that inhibit human DNA ligases and methods of treating cancer LIG1, LIG4, LIG3 SMN1; SMN2 3912/4885KMT2A 1608/4885MEN1 2792/4885

“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.