SCHEMBL868561

SCHEMBL868561

CC(=O)c1ccc2c(c1)CCN2C(C)=O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 7/20 0.69
ALDH1A1 P00352 4/20 0.64
HPGD P15428 3/20 0.64
KDM4E B2RXH2 2/20 0.64
RECQL P46063 1/20 0.64
CYP11B1 P15538 4/20 0.63
CYP11B2 P19099 4/20 0.63
MAPT P10636 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 1/20 0.63
TP53 P04637 1/20 0.63
RAB9A P51151 1/20 0.63
TNF P01375 1/20 0.58
NOD2 Q9HC29 1/20 0.58
NOD1 Q9Y239 1/20 0.58
HSD17B10 Q99714 1/20 0.55
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
CRBN Q96SW2 1/20 0.52

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
SCHEMBL29446551 1.00 NOTUM (0.69) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL3102790 0.90 NOTUM (0.62) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL28693772 0.89 NOTUM (0.54) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL5068337 0.89 NOTUM (0.67) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL870500 0.84 ALDH1A1 (0.70) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL21776847 0.84 NOTUM (0.65) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL6648532 0.84 KDM4E (0.58) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL5780390 0.84 ALDH1A1 (0.70) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL8813833 0.83 NOTUM (0.60) NOTUMALDH1A1HPGDKDM4ERECQL
SCHEMBL4523697 0.83 NOTUM (0.60) NOTUMALDH1A1HPGDKDM4ERECQL

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
CN-114213310-B Indoline compound and derivative thereof, preparation method, pharmaceutical composition and application 中国药科大学 2024-02-23 CN disclosed
WO-2023125473-A1 INDOLINE COMPOUNDS AND DERIVATIVES THEREOF, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国药科大学 2023-07-06 WO disclosed
CN-114213310-A Indoline compound and derivative, preparation method, pharmaceutical composition and application thereof 中国药科大学 2022-03-22 CN disclosed
US-9394251-B2 Silodosin intermediate and preparation method therefor ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2016-07-19 US disclosed
US-20150148548-A1 Silodosin Intermediate and Preparation Method Therefor ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. 2015-05-28 US disclosed
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
CN-102917588-A Chemical compounds GLAXOSMITHKLINE LLC 2013-02-06 CN disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1161418-B1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RES COUNCIL (GB) 2005-12-28 EP disclosed
US-6765014-B1 DRUG DELIVERY OF NEUROACTIVE AMINO ACIDS OR METAL CHELATORS MEDICAL RESEARCH COUNCIL (GB) 2004-07-20 US disclosed
EP-1161418-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2001-12-12 EP disclosed
WO-2000055133-A1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RESEARCH COUNCIL (GB) 2000-09-21 WO disclosed
US-4650810-A OR INDOLE-5-THIOACETAMIDES GLAXO GROUP LIMITED (GB) 1987-03-17 US 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 (4 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R NOTUM 2790/4885ALDH1A1 1192/4885HPGD 2743/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R NOTUM 2790/4885ALDH1A1 1192/4885HPGD 2743/4885
US-20150148548-A1 Silodosin Intermediate and Preparation Method Therefor CYP51A1, VIP, CYP4F11 NOTUM 128/4885ALDH1A1 539/4885HPGD 62/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA NOTUM 2558/4885ALDH1A1 3985/4885HPGD 1193/4885

“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.