SCHEMBL19991850

SCHEMBL19991850

COC(=O)c1cccc(Br)c1N.Nc1c(Br)cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CFTR P13569 1/20 0.50
CASP7 P55210 2/20 0.47
G6PD P11413 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 3/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA5A P35218 1/20 0.45
CA9 Q16790 1/20 0.45
ALOX15 P16050 1/20 0.45
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL1189085 0.93 ALDH1A1 (0.56) ALDH1A1HSD17B10CFTRCASP7KMT2A
SCHEMBL465737 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRCASP7G6PD
SCHEMBL31634613 0.88 ALDH1A1 (0.58) ALDH1A1HSD17B10CFTRCASP7G6PD
SCHEMBL162974 0.86 G6PD (0.61) ALDH1A1HSD17B10CASP7G6PDCASP6
SCHEMBL31003730 0.86 G6PD (0.61) ALDH1A1HSD17B10CASP7G6PDCASP6
SCHEMBL2895994 0.80 ALDH1A1 (0.67) ALDH1A1HSD17B10CFTRCASP7KMT2A
SCHEMBL25095928 0.78 KDM4E (0.49) ALDH1A1HSD17B10CFTRCASP7KMT2A
SCHEMBL30217815 0.78 KDM4E (0.49) ALDH1A1HSD17B10CFTRCASP7KMT2A
SCHEMBL28679016 0.78 TSHR (0.50) ALDH1A1HSD17B10CFTRKMT2AMAPT
Methoxymethane SCHEMBL5903652 0.77 G6PD (0.63) ALDH1A1HSD17B10CFTRCASP7G6PD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105934425-B EBNA1 inhibitors and methods of use thereof 威斯塔解剖学和生物学研究所 2020-08-07 CN disclosed
US-10421718-B2 EBNA1 inhibitors and their method of use THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2019-09-24 US disclosed
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 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 (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-10421718-B2 EBNA1 inhibitors and their method of use EBNA1BP2, MLLT1, PML ALDH1A1 3442/4885HSD17B10 3975/4885CFTR 2871/4885
US-20180086699-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE EBNA1BP2, MLLT1, PML ALDH1A1 3442/4885HSD17B10 3975/4885CFTR 2871/4885

“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.