SCHEMBL96892

SCHEMBL96892

[CH2]C(=O)Nc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.64
POLB P06746 2/20 0.61
TGM2 P21980 1/20 0.61
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
KIF11 P52732 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NMT1 P30419 1/20 0.52
DDAH1 O94760 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL9566474 0.87 SMN1; SMN2 (0.46) TDP1POLBTGM2NPC1RAB9A
SCHEMBL6850999 0.80 KDM4E (0.79) TDP1POLBTGM2NPC1RAB9A
SCHEMBL455439 0.80 TDP1 (0.70) TDP1POLBTGM2NPC1RAB9A
SCHEMBL1275920 0.80 ALDH1A1 (0.70) TDP1POLBNPC1RAB9AKDM4E
SCHEMBL28651984 0.78 ALDH1A1 (0.64) TDP1NPC1RAB9AKDM4EMAPT
Fluoride SCHEMBL11790965 0.78 TDP1 (0.67) TDP1POLBTGM2NPC1RAB9A
SCHEMBL2093333 0.78 TDP1 (0.67) TDP1POLBTGM2NPC1RAB9A
SCHEMBL2891738 0.78 MAPT (0.60) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL61417 0.78 TDP1 (1.00) TDP1POLBNPC1RAB9AKDM4E
SCHEMBL21597432 0.77 TDP1 (0.59) TDP1POLBTGM2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN claimed
CN-114456166-B 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114456166-B 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2023-06-16 CN disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN disclosed
CN-114456166-A 5-substituted amino-3-methylpyrido [2,3-d ] pyrimidine compound and preparation and application thereof 沈阳药科大学 2022-05-10 CN disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-01-30 US disclosed
US-8598162-B2 Derivatives of 4-piperazin-1-yl-4-benzo[B]thiophene suitable for the treatment of CNS disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-03 US disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 TDP1 2000/4885POLB 2843/4885TGM2 258/4885
US-20140031334-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 TDP1 957/4885POLB 3667/4885TGM2 1662/4885

“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.