SCHEMBL102439

SCHEMBL102439

NC(=NO)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
CTSL P07711 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.39
PKM P14618 1/20 0.39
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38

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
SCHEMBL102438 1.00 GAA (0.50) GAALMNAL3MBTL1CES2CES1
SCHEMBL30605750 1.00 GAA (0.50) GAALMNAL3MBTL1CES2CES1
SCHEMBL641271 0.83 CES2 (0.52) GAALMNAL3MBTL1CES2CES1
SCHEMBL641270 0.83 CES2 (0.52) GAALMNAL3MBTL1CES2CES1
Hydrochloric Acid SCHEMBL8561309 0.80 CES2 (0.46) GAAL3MBTL1CES2CES1ALDH1A1
SCHEMBL21163496 0.79 ESR1 (0.41) GAALMNAL3MBTL1CES2CES1
SCHEMBL8295437 0.77 CES2 (0.43) GAALMNACES2CES1ALDH1A1
SCHEMBL17842362 0.76 CES2 (0.52) GAALMNACES2CES1ALDH1A1
SCHEMBL21163489 0.75 GAA (0.42) GAALMNAL3MBTL1CES2CES1
SCHEMBL1343390 0.74 GAA (0.52) GAALMNAL3MBTL1ALDH1A1ALOX15

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE LOXO ONCOLOGY, INC. 2024-01-18 US disclosed
CN-116514790-A Tri-aromatic heterocyclic piperazine small molecular organic compound targeting STAT3 and application thereof 华东师范大学 2023-08-01 CN disclosed
CN-107709334-B Novel amino acid derivatives, process for their preparation and pharmaceutical compositions containing them 法国施维雅药厂 2021-04-13 CN disclosed
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-10-29 US disclosed
EP-3215505-B1 PIPERIDINYLPYRAZOLOPYRIMIDINONES AND THEIR USE Bayer Pharma AG (DE) 2019-07-24 EP disclosed
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2019-01-31 US disclosed
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-11-06 US disclosed
EP-3313850-B1 NEW AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-10-03 EP disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
CN-101151032-A Pharmaceutical composition and method using antifungal agent in combination TOYAMA CHEMICAL CO LTD (JP) 2008-03-26 CN disclosed
EP-1805180-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SmithKline Beecham Corporation (US) 2007-07-11 EP disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2006045565-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-04 WO disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
EP-1334085-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LTD. (GB) 2003-08-13 EP disclosed
WO-2002036555-A1 SULFAMIDES AS GAMMA-SECRETASE INHIBITORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-10 WO disclosed
US-4845095-A ANALGESICS, NEUROLEPTICS A/S FERROSAN (DK) 1989-07-04 US disclosed
EP-0285032-A1 4-Phenylpiperidine compounds and their preparation and use A/S FERROSAN (DK) 1988-10-05 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 (7 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-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GAA 2249/4885LMNA 4715/4885L3MBTL1 4070/4885
US-20240018115-A1 ALLOSTERIC CHROMENONE INHIBITORS OF PHOSPHOINOSITIDE 3-KINASE (PI3K) FOR THE TREATMENT OF DISEASE PIK3CA, PIK3R4, PIK3R5 GAA 1962/4885LMNA 3204/4885L3MBTL1 3117/4885
US-10118930-B2 Piperidinylpyrazolopyrimidinones and their use HAMP, SERPINC1, PRSS8 GAA 4335/4885LMNA 2585/4885L3MBTL1 4443/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 GAA 3943/4885LMNA 2804/4885L3MBTL1 2449/4885
US-20190031675-A1 AMINOACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, ARG2, ANXA5 GAA 1421/4885LMNA 77/4885L3MBTL1 2735/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 GAA 3943/4885LMNA 2804/4885L3MBTL1 2449/4885
US-10457687-B2 Aminoacid derivatives, a process for their preparation and pharmaceutical compositions containing them BAX, ARG2, ANXA5 GAA 1421/4885LMNA 77/4885L3MBTL1 2735/4885

“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.