SCHEMBL6708905

SCHEMBL6708905

Nc1c(C(=O)O)cccc1C(=O)OCc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 4/20 0.47
POLB P06746 1/20 0.46
PARP10 Q53GL7 1/20 0.44
MAPT P10636 3/20 0.43
CASP3 P42574 4/20 0.43
SENP8 Q96LD8 4/20 0.43
SENP7 Q9BQF6 4/20 0.43
SENP6 Q9GZR1 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 2/20 0.43
NAPRT Q6XQN6 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL21027551 0.80 ALDH1A1 (0.73) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL11475412 0.77 CASP3 (0.58) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL30620627 0.76 NPC1 (0.60) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL27817990 0.76 NPC1 (0.60) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL10697623 0.76 SMN1; SMN2 (0.57) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL23812437 0.75 ALDH1A1 (0.69) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL11377704 0.74 SMN1; SMN2 (0.66) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
Iodomethane SCHEMBL11482698 0.74 CASP3 (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
Iodomethane SCHEMBL11477652 0.74 RAB9A (0.54) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL6708912 0.74 NPC1 (0.70) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-5925780-A VIRICIDES FOR RETROVIRAL SPECIES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-07-20 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-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 (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-20040266871-A1 Methods for treating alzheimer's disease using quinaldoyl-amine derivatives of oxo-and hydroxy-substituted hydrocarbons BACE1, BACE2, PSEN1 RAB9A 1654/4885NPC1 308/4885SMN1; 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.