SCHEMBL3497579

SCHEMBL3497579

Cc1ccccc1NC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 4/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 3/20 0.54
ITGB3 P05106 2/20 0.53
ITGAV P06756 2/20 0.53
ITGB1 P05556 1/20 0.53
ITGA5 P08648 1/20 0.53
PGR P06401 1/20 0.51
SCN1A P35498 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
DDX3X O00571 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49

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
SCHEMBL3347123 1.00 RAB9A (0.56) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL3347133 1.00 RAB9A (0.56) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL6351292 0.80 NPC1 (0.62) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL3499028 0.79 KMT2A (0.57) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL7106954 0.79 ALDH1A1 (0.58) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL19283574 0.79 ALDH1A1 (0.58) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL15412316 0.79 ALDH1A1 (0.58) RAB9ANPC1HPGDALDH1A1POLB
Cadaverine Tartrate SCHEMBL29071383 0.79 TSHR (0.50) RAB9ANPC1HPGDALDH1A1POLB
Cadaverine Tartrate SCHEMBL28055271 0.79 TSHR (0.50) RAB9ANPC1HPGDALDH1A1POLB
SCHEMBL19283507 0.79 MAPT (0.57) RAB9ANPC1ALDH1A1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156778-B2 Cross-coupled peptide nucleic acids for detection of nucleic acids of pathogens THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-10-13 US disclosed
US-20120322053-A1 CROSS-COUPLED PEPTIDE NUCLEIC ACIDS FOR DETECTION OF NUCLEIC ACIDS OF PATHOGENS APPELLA DANIEL H (US) 2012-12-20 US disclosed
US-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF (US) 2010-05-13 US disclosed
EP-0211584-A1 Antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1987-02-25 EP disclosed
US-4618678-A 4-(2,3-dichloro-6-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-1,7-naphthyridine-3-carboxylic acid 2-(2,3-dichlorophenoxy)ethyl ester AMERICAN HOME PRODUCTS CORPORATION (US) 1986-10-21 US disclosed
US-4596873-A 1,4,5,6,7,8-Hexahydro-2-alkyl-4-aryl-5-oxo-1,7-naphthyridine-3-carboxylic acid aromatic esters and pharmaceutically acceptable acid addition salts thereof useful as antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1986-06-24 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 (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-20100120031-A1 SYNTHESIS OF TRANS-TERT-BUTYL-2-AMINOCYCLOPENTYLCARBAMATE TERF2, TERF2IP, TCOF1 RAB9A 2949/4885NPC1 2382/4885HPGD 4430/4885

“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.