SCHEMBL178428

SCHEMBL178428

CC(C)NC(C(C)C)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21789793 1.00 TDP1 (0.39) TDP1
SCHEMBL22016899 1.00 TDP1 (0.39) TDP1
SCHEMBL25927679 0.80
SCHEMBL23613206 0.80
SCHEMBL23872428 0.80
SCHEMBL23872440 0.80
SCHEMBL23612985 0.76
SCHEMBL13792556 0.75 TDP1 (0.44) TDP1
SCHEMBL21835976 0.74 TDP1 (0.32) TDP1
SCHEMBL12868489 0.74 TDP1 (0.32) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 US disclosed
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS Technische Universität Berlin (DE) 2023-11-02 US disclosed
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders IMMUNOGEN, INC. (US) 2023-10-24 US disclosed
US-11578069-B2 Compounds for inhibition of α4 β7 integrin GILEAD SCIENCES, INC. (US) 2023-02-14 US disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 US disclosed
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2022-05-05 US disclosed
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. 2022-04-21 US disclosed
US-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-09 US disclosed
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-11116760-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2021-09-14 US disclosed
WO-2021050992-A1 USP30 INHIBITORS AND USES THEREOF VINCERE BIOSCIENCES, INC. (US) 2021-03-18 WO disclosed
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2021-02-25 US disclosed
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES IMMUNOGEN, INC. 2020-12-24 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-21 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7329663-B2 Substituted-triazolopyrimidines as anticancer agents WYETH (US) 2008-02-12 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 (15 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 TDP1 3967/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 TDP1 4486/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 TDP1 4519/4885
US-11578069-B2 Compounds for inhibition of α4 β7 integrin ITGB7, ITGB4, ITGA4 TDP1 4649/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TDP1 2395/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 TDP1 2395/4885
US-20220119383-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS ITGB7, ITGB1, ITGA2B TDP1 3885/4885
US-20200397914-A1 BENZODIAZEPINE DERIVATIVES GABRA5, GABRA3, GABRA1 TDP1 2802/4885
US-20230348422-A1 ALBICIDIN DERIVATIVES, THEIR USE AND SYNTHESIS ALB, AAAS, INF2 TDP1 4770/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 TDP1 4486/4885
US-20220135561-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR TDP1 1397/4885
US-11116760-B2 Quinoline derivatives CFTR, NQO1, IRF3 TDP1 2395/4885
US-20210380591-A1 ANTHELMINTIC HETEROCYCLIC COMPOUNDS AADAC, HNMT, HRH4 TDP1 4721/4885
US-20210053967-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 TDP1 4478/4885
US-11793885-B2 Substituted benzo[5,6][1,4]diazepino[1,2-a]indoles for the treatment of proliferative disorders MKI67, GABBR1, GABBR2 TDP1 1612/4885

“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.