SCHEMBL732196

SCHEMBL732196

NCCc1ncccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SYK P43405 3/20 0.46
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
AHR P35869 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P2RX7 Q99572 1/20 0.41
HRH1 P35367 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
METAP2 P50579 1/20 0.40
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL9339087 0.90 PARP1 (0.47) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30666151 0.87 PARP1 (0.51) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29169651 0.86 NAPRT (0.55) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL62707 0.86 PARP1 (0.50) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL1937751 0.85 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL30786354 0.84 PARP1 (0.49) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2497122 0.84 KDM4E (0.56) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5196284 0.81 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL497429 0.81 PARP1 (0.53) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL4601500 0.81 KDM4E (0.54) PARP1KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472948-A2 NICOTINATE AND NICOTINAMIDE RIBOSIDE-BASED COMPOUNDS AND DERIVATIVES THEREOF New Frontier Bio, Inc. (US) 2024-12-11 EP disclosed
EP-3010886-B1 RETINOID DERIVATIVES AND PROCESS FOR THEIR PREPARATION SELEGO AB (SE) 2018-02-28 EP disclosed
US-9549884-B2 Retinoid derivatives and process for their preparation SELEGO AB (SE) 2017-01-24 US disclosed
US-20160136076-A1 RETINOID DERIVATIVES AND PROCESS FOR THEIR PREPARATION SELEGO AB (SE) 2016-05-19 US disclosed
EP-3010886-A1 RETINOID DERIVATIVES AND PROCESS FOR THEIR PREPARATION Selego AB (SE) 2016-04-27 EP disclosed
WO-2014204390-A1 RETINOID DERIVATIVES AND PROCESS FOR THEIR PREPARATION SELEGO AB (SE) 2014-12-24 WO disclosed
US-8138209-B2 Substituted picolinamides as MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-20 US disclosed
WO-2007008963-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 WO disclosed
US-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-18 US disclosed
US-5360808-A Cardiovascular disorders, antispasmodic agents, hypotensive disorders, brains, anticonvulsants and antiepileptics HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-01 US disclosed
EP-0556738-A1 Pyridinylcarbonylaminoalkyl-dihydro-oxo-pyridines, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1993-08-25 EP 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-20070015734-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 PARP1 2110/4885KDM4E 610/4885ALDH1A1 353/4885
US-20160136076-A1 RETINOID DERIVATIVES AND PROCESS FOR THEIR PREPARATION RARB, RARA, RARG PARP1 3389/4885KDM4E 3174/4885ALDH1A1 112/4885

“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.