SCHEMBL7315510

SCHEMBL7315510

O=C(CNC(=O)OCc1ccccc1)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.67
RCOR1 Q9UKL0 1/20 0.67
MAPK1 P28482 1/20 0.60
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
MGLL Q99685 1/20 0.55
EPHX2 P34913 1/20 0.53
PARP1 P09874 1/20 0.53
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
PRSS1 P07477 1/20 0.51
TPSAB1 Q15661 1/20 0.51
TPSD1 Q9BZJ3 1/20 0.51
TPSG1 Q9NRR2 1/20 0.51

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
SCHEMBL7624965 0.93 KDM1A (0.67) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL11925397 0.90 KDM1A (0.64) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL7758912 0.90 KDM1A (0.64) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL9635671 0.90 POLB (0.74) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL7622075 0.87 KDM1A (0.60) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL7687546 0.86 LMNA (0.57) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL9780058 0.86 KDM1A (0.62) KDM1ARCOR1ALDH1A1LMNAKMT2A
SCHEMBL7406969 0.86 HTT (0.59) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL7758133 0.86 KDM1A (0.59) KDM1ARCOR1MAPK1ALDH1A1POLB
SCHEMBL9299855 0.85 POLB (0.55) KDM1ARCOR1MAPK1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190022-A1 Combination methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-16 US disclosed
US-20070060614-A1 Methods of treating cancer with hdac inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-15 US disclosed
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2007-01-11 US disclosed
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2007-01-11 US disclosed
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed
US-5280027-A Quinazoline containing compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-01-18 US disclosed
EP-0254578-B1 ANTIBIOTIC INTERMEDIATES ELI LILLY AND COMPANY (US) 1993-09-08 EP disclosed
EP-0459730-A2 Anti-tumour compounds ZENECA LIMITED (GB) 1991-12-04 EP disclosed
EP-0094815-B1 OLIGOPEPTIDE PRODRUGS SMITHKLINE BECKMAN CORPORATION (US) 1989-01-11 EP disclosed
US-4772694-A Chiral 3-(1,2,5-trisubstituted imidazolidinone) azetidinone antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-09-20 US disclosed
EP-0254578-A1 Antibiotic intermediates ELI LILLY AND COMPANY (US) 1988-01-27 EP disclosed
US-4479898-A Oligopeptide prodrugs SMITHKLINE BECKMAN CORPORATION (US) 1984-10-30 US disclosed
US-4454065-A INCREASE CELL MEMBRANE PERMEABILITY SMITHKLINE BECKMAN CORPORATION (US) 1984-06-12 US disclosed
EP-0094815-A2 Oligopeptide prodrugs SMITHKLINE BECKMAN CORPORATION (US) 1983-11-23 EP disclosed
US-4183909-A DIAGNOSTIC TOOL FOR GASTROINTESTINAL DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1980-01-15 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 (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-20070060614-A1 Methods of treating cancer with hdac inhibitors HDAC5, BCL6, HDAC9 KDM1A 49/4885RCOR1 496/4885MAPK1 4263/4885
US-20070010669-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 KDM1A 45/4885RCOR1 256/4885MAPK1 2852/4885
US-20070190022-A1 Combination methods of treating cancer HDAC5, HDAC1, HDAC4 KDM1A 147/4885RCOR1 284/4885MAPK1 3996/4885
US-20070010536-A1 Novel class of cytodifferentiating agents and histone deacetylase inhibitors, and methods of use thereof ACIN1, HDAC3, HDAC1 KDM1A 45/4885RCOR1 256/4885MAPK1 2852/4885

“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.