SCHEMBL8328071

SCHEMBL8328071

NCCCC[C@H](N)C(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.64
DNPH1 O43598 7/20 0.61
P2RY1 P47900 5/20 0.61
P2RY2 P41231 4/20 0.61
TAS1R3 Q7RTX0 2/20 0.61
TAS1R1 Q7RTX1 2/20 0.61
SRC P12931 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PRKAB2 O43741 1/20 0.61
TRPM2 O94759 1/20 0.61
LDHA P00338 1/20 0.61
ADRB2 P07550 1/20 0.61
FBP1 P09467 1/20 0.61
ADORA1 P30542 1/20 0.61
PRKAG1 P54619 1/20 0.61
PRKAA2 P54646 1/20 0.61
PDE4D Q08499 1/20 0.61
KCNH2 Q12809 1/20 0.61
PRKAA1 Q13131 1/20 0.61
PDE3A Q14432 1/20 0.61

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
SCHEMBL3898255 0.90 P2RY12 (0.65) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL5545796 0.90 P2RY12 (0.69) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL3193571 0.89 P2RY12 (0.68) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL8570660 0.88 MARS1 (0.65) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL1933421 0.88 P2RY12 (0.67) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL4997219 0.88 P2RY12 (0.69) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL2990779 0.87 P2RY12 (0.66) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL8916648 0.87 P2RY12 (0.70) P2RY12DNPH1P2RY1P2RY2TAS1R3
Adenosine Phosphate SCHEMBL8365323 0.86 P2RY1 (0.76) DNPH1P2RY1P2RY2TAS1R3TAS1R1
Adenosine Phosphate SCHEMBL17144429 0.86 P2RY1 (0.76) DNPH1P2RY1P2RY2TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016864-B2 LOX enzyme inhibiting methods and compositions ANOVIA BIOSCIENCES, INC. (US) 2024-06-25 US disclosed
US-20230390299-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES INC (US) 2023-12-07 US disclosed
US-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. 2023-10-05 US disclosed
WO-2023076567-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS ANOVIA BIOSCIENCES, INC. (US) 2023-05-04 WO disclosed
US-10513520-B2 Sulfamide and sulfamate inhibitors of hHint1 REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2019-12-24 US disclosed
US-20180065965-A1 SULFAMIDE AND SULFAMATE INHIBITORS OF hHint1 REGENTS OF THE UNIVERSITY OF MINNESOTA 2018-03-08 US disclosed
US-9447391-B2 Diagnostic tests for the detection of inherited peripheral neuropathies VIB VZW (BE) 2016-09-20 US disclosed
US-20140356871-A1 DIAGNOSTIC TESTS FOR THE DETECTION OF INHERITED PERIPHERAL NEUROPATHIES VIB VZW (BE) 2014-12-04 US disclosed
WO-2013104701-A1 DIAGNOSTIC TESTS FOR THE DETECTION OF INHERITED PERIPHERAL NEUROPATHIES VIB VZW (BE) 2013-07-18 WO disclosed
WO-2013038183-A1 METHODS OF SCREENING FOR ANTIMICROBIAL COMPOUNDS UNIVERSITY OF WARWICK (GB) 2013-03-21 WO disclosed
US-5912140-A ISOLATED NUCLEIC ACID WHICH CODES A FUNCTIONAL PORTION OF A LYSYL-TRNA SYNTHETASE; HAVING CATALYTIC ACITIVITY AND BINDING FUNCTION; DRUG SCREENING FOR AIDS THERAPY CUBIST PHARMACEUTICALS, INC. (US) 1999-06-15 US disclosed
US-5801013-A Helicobacter aminoacyl-tRNA synthetase proteins, nucleic acids and strains comprising same CUBIST PHARMACEUTICALS, INC. (US) 1998-09-01 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 (5 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-20230310445-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS LOX, LOXL1, LOXL2 P2RY12 2205/4885DNPH1 720/4885P2RY1 1478/4885
US-10513520-B2 Sulfamide and sulfamate inhibitors of hHint1 GRIN1, OPRL1, GRIN3A P2RY12 1176/4885DNPH1 3833/4885P2RY1 230/4885
US-20230390299-A1 LOX ENZYME INHIBITING METHODS AND COMPOSITIONS LOX, LOXL1, LOXL2 P2RY12 2398/4885DNPH1 813/4885P2RY1 1602/4885
US-12016864-B2 LOX enzyme inhibiting methods and compositions LOX, LOXL1, LOXL2 P2RY12 2231/4885DNPH1 679/4885P2RY1 1481/4885
US-20180065965-A1 SULFAMIDE AND SULFAMATE INHIBITORS OF hHint1 GRIN1, GRIA1, GRIN2A P2RY12 2256/4885DNPH1 3435/4885P2RY1 515/4885

“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.