SCHEMBL13738136

SCHEMBL13738136

Cc1cc(=O)[nH]c(NN)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 1.00
NPC1 O15118 2/20 1.00
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
RECQL P46063 1/20 0.53
ALOX15 P16050 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL8138380 0.82 GAA (0.69) GAANPC1POLBPKMKMT2A
SCHEMBL512500 0.78 GAA (0.64) GAANPC1POLBPKMKMT2A
SCHEMBL25346762 0.76 GAA (0.61) GAANPC1POLBALDH1A1MAPT
SCHEMBL1705566 0.74 GAA (0.59) GAANPC1POLBPKMKMT2A
SCHEMBL10677233 0.74 GAA (0.59) GAANPC1POLBPKMKMT2A
SCHEMBL16509679 0.74 POLB (0.73) GAANPC1POLBPKMKMT2A
SCHEMBL908316 0.72
SCHEMBL13740025 0.72 GAA (0.56) GAANPC1POLBPKMKMT2A
SCHEMBL9377914 0.72 POLB (0.69) GAANPC1POLBPKMKMT2A
SCHEMBL18689711 0.72 FABP4 (0.56) GAANPC1POLBKMT2AMEN1

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-20240139190-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2024-05-02 US disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
EP-3356345-B1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2023-11-08 EP disclosed
WO-2021077102-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-22 WO disclosed
WO-2021077102-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-22 WO disclosed
EP-3356345-A1 HETEROARYL DERIVATIVES AS SEPIAPTERIN REDUCTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-08-08 EP disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
WO-2012154880-A1 PROTEOSTASIS REGULATORS FOR TREATING CYSTIC FIBROSIS AND OTHER PROTEIN MISFOLDING DISEASES PROTEOSTASIS THERAPEUTICS, INC. (US) 2012-11-15 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR GAA 4235/4885NPC1 2977/4885POLB 2800/4885
US-20240139190-A1 NOVEL ANTIPARASITIC COMPOUNDS AND METHODS TUBB, TUBB1, TUBA1C GAA 336/4885NPC1 1269/4885POLB 135/4885

“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.