SCHEMBL5097277

SCHEMBL5097277

O=C(O)Cc1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.74
LOXL2 Q9Y4K0 1/20 0.60
F7 P08709 1/20 0.58
F3 P13726 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.57
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
DAO P14920 1/20 0.50
FFAR1 O14842 5/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP19A1 P11511 1/20 0.46
PPARG P37231 2/20 0.46
PYGL P06737 1/20 0.46
F11 P03951 1/20 0.46
HRH4 Q9H3N8 1/20 0.46

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
SCHEMBL30222912 0.81 SIRT1 (0.58) SIRT1LOXL2F7F3SMN1; SMN2
SCHEMBL115205 0.81 SMAD3 (0.57) SIRT1MEN1KMT2AKDM4EALDH1A1
SCHEMBL30620163 0.81 SMAD3 (0.57) SIRT1MEN1KMT2AKDM4EALDH1A1
SCHEMBL10850338 0.80 SIRT1 (0.57) SIRT1LOXL2F7F3SMN1; SMN2
SCHEMBL28689775 0.80 SIRT1 (0.49) SIRT1MEN1KMT2AFFAR1KDM4E
SCHEMBL3838663 0.80 TSHR (0.58) SIRT1DAOFFAR1KDM4EALDH1A1
SCHEMBL28038746 0.80 LOXL2 (0.60) SIRT1LOXL2SMN1; SMN2MEN1NPC1
SCHEMBL6240732 0.80 KDM4E (0.51) SIRT1F7F3MEN1KMT2A
SCHEMBL28696939 0.80 SIRT1 (0.53) SIRT1LOXL2F7F3SMN1; SMN2
SCHEMBL9270023 0.79 SIRT1 (0.47) SIRT1SMN1; SMN2MEN1KMT2AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651352-B Dimeric indole alkaloid compounds, preparation method thereof and application thereof in preparation of antibacterial drugs 中国科学院上海药物研究所 2022-02-15 CN disclosed
CN-103387531-A Amide arylpiperazine derivatives, their preparation method, and their application in benign prostatic hyperplasia resistance UNIV GUANGZHOU MEDICAL 2013-11-13 CN disclosed
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed
US-4459349-A A 2-NAPHTHYL-4,5-DIPHENYLIMIDAZOLYL DIMER, UNSATURATED MONOMER TOYO BOSEKI KABUSHIKI KAISHA (JP) 1984-07-10 US disclosed
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 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 (1 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 SIRT1 1193/4885LOXL2 3148/4885F7 8/4885

“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.