SCHEMBL3750320

SCHEMBL3750320

COc1ccc([N+](=O)[O-])c(CC(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CYP1A2 P05177 1/20 0.51
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49
KDM4E B2RXH2 3/20 0.49
PTGS1 P23219 1/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL16094929 0.89 ALDH1A1 (0.56) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4014665 0.88 CYP1A2 (0.63) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2436193 0.88 CYP1A2 (0.63) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL14333582 0.85 CYP1A2 (0.49) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3601373 0.85 POLB (0.58) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28448736 0.84 ALDH1A1 (0.52) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29500851 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AAKR1C3
SCHEMBL29848981 0.83 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9AMAOA
SCHEMBL21061651 0.83 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AAKR1C3
SCHEMBL28444987 0.83 POLB (0.52) HSD17B10ALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024152995-A1 MACROCYCLIC CYCLIN INHIBITORS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 上海海量医药科技有限公司 2024-07-25 WO disclosed
CN-111479813-B Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2023-03-21 CN disclosed
EP-3724192-B1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT (HU) 2022-08-03 EP disclosed
CN-112047933-B Quinazolinone USP7 inhibitor and preparation method and application thereof 郑州大学 2022-06-14 CN disclosed
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists RICHTER GEDEON NYRT. (HU) 2022-04-12 US disclosed
CN-112047933-A Quinazolinone USP7 inhibitor and preparation method and application thereof 郑州大学 2020-12-08 CN disclosed
EP-3724192-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS Richter Gedeon Nyrt. (HU) 2020-10-21 EP disclosed
CN-111479813-A Triazolobenzazepines as vasopressin V1A receptor antagonists 吉瑞工厂 2020-07-31 CN disclosed
WO-2019116324-A1 TRIAZOLOBENZAZEPINES AS VASOPRESSIN V1A RECEPTOR ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2019-06-20 WO disclosed
US-7829567-B2 Imino-indeno[1,2-c] quinoline derivatives, their preparation processes, and pharmaceutical compositions comprising the same KAOHSIUNG MEDICAL UNIVERSITY (TW) 2010-11-09 US disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
US-5686626-A COGNITION ACTIVATORS HOECHST MARION ROUSSEL, INC. (US) 1997-11-11 US disclosed
US-5621116-A CHEMICAL INTERMEDIATES; MEMORY ENHANCERS FOR TREATMENT OF ALZHEIMER*S, ANALGESICS, ANTICONVULSANTS HOECHST MARION ROUSSEL, INC. (US) 1997-04-15 US disclosed
US-5464846-A Learning enhancement, Alzheimer's disease HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1995-11-07 US disclosed
EP-0415102-B1 1,3-Dihydro-1-(pyridinylamino)-2H-indol-2-ones, a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-02-01 EP disclosed
US-5179119-A Cognition activators; alzheimer*s disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-01-12 US disclosed
US-5053511-A Analgesics; anticonvulsants; treatment for alzheimers disease HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-10-01 US disclosed
EP-0415102-A1 1,3-Dihydro-1-(pyridinylamino)-2H-indol-2-ones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-06 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 (3 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-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 HSD17B10 2651/4885ALDH1A1 425/4885SMN1; SMN2 3515/4885
US-11298363-B2 Triazolobenzazepines as vasopressin V1a receptor antagonists AVPR1B, AVPR1A, AVPR2 HSD17B10 1459/4885ALDH1A1 1270/4885SMN1; SMN2 4312/4885
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 HSD17B10 1395/4885ALDH1A1 309/4885SMN1; SMN2 4622/4885

“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.