SCHEMBL6708912

SCHEMBL6708912

O=C(Nc1ccccc1C(=O)O)OCc1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.70
RAB9A P51151 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
LMNA P02545 1/20 0.70
MAPT P10636 1/20 0.56
SLC22A12 Q96S37 1/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 1/20 0.52
HDAC2 Q92769 1/20 0.52
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HCAR2 Q8TDS4 2/20 0.47
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CFD P00746 1/20 0.43

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
SCHEMBL9053388 0.88 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL8211405 0.82 NPC1 (1.00) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2233522 0.79 NPC1 (0.69) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL18394876 0.77 MAOA (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL29664470 0.77 MAOA (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL13564630 0.76 NPC1 (0.68) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL16078292 0.76 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL10489819 0.76 KMT2A (0.63) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL7401301 0.75 NPC1 (0.67) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL11377704 0.75 SMN1; SMN2 (0.66) NPC1RAB9ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US disclosed
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons PHARMACIA & UPJOHN 2004-12-30 US disclosed
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP disclosed
EP-0801640-B1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME USA (US) 2003-03-26 EP disclosed
US-6258806-B1 PEPTIDES WITH CYCLIC DIAZAALKANES FOR PREVENTION OF PREMATURE METABOLISM METHOD FOR INHIBITING AN HIV PROTEASE IN A MAMMAL IN NEED OF SUCH PROTEASE INHIBITION, COMPRISING ADMINISTERING TO SAID MAMMAL AN EFFECTIVE DOSAGE NARHEX LIMITED (HK) 2001-07-10 US disclosed
US-6066656-A IN VITRO METHOD OF ASSAYING FOR ANTIRETROVIRAL ACTIVITY OF A COMPOUND BY MEASURING THE FLUORESCENCE OF A FLUORESCENT COMPOUND, MEASURING THE CHANGE IN FLUORESCENCE OF SAID COMPOUND IN THE PRESENCE OF A RETROVIRAL PROTEASE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed
US-5942504-A INHIBITORS OF RETROVIRAL PROTEASES; TREATMENT OF AIDS AND HIV NARHEX LIMITED (HK) 1999-08-24 US disclosed
US-5763464-A TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-09 US disclosed
US-5728718-A RETROVIRAL PROTEASE INHIBITOR; TREATMENT OF HTLV THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-03-17 US disclosed
EP-0801640-A1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1997-10-22 EP disclosed
US-5679688-A RETROVIRAL PROTEASE INHIBITORS; AIDS THERAPY NARHEX LIMITED (HK) 1997-10-21 US disclosed
WO-1997019061-A1 RETROVIRAL AGENTS CONTAINING ANTHRANILAMIDE, SUBSTITUTED BENZAMIDE AND OTHER SUBUNITS, AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-05-29 WO disclosed
WO-1996019437-A9 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME 1996-09-06 WO disclosed
WO-1996019437-A1 2,5-DIAMINO-3,4-DISUBSTITUTED-1,6-DIPHENYLHEXANE ISOSTERES COMPRISING BENZAMIDE, SULFONAMIDE AND ANTHRANILAMIDE SUBUNITS AND METHODS OF USING SAME THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-27 WO disclosed
EP-0633881-A4 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS. 1995-02-22 EP disclosed
EP-0633881-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS Narhex Limited (HK) 1995-01-18 EP disclosed
WO-1993018006-A1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LIMITED (HK) 1993-09-16 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 (2 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 NPC1 626/4885RAB9A 2543/4885SMN1; SMN2 3324/4885
US-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons BACE1, BACE2, PSEN1 NPC1 308/4885RAB9A 1654/4885SMN1; SMN2 1587/4885

“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.