SCHEMBL932830

SCHEMBL932830

CC(F)(F)c1ccc(C=O)cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
KCNJ1 P48048 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP2A6 P11509 3/20 0.35
TRPV4 Q9HBA0 1/20 0.35
ALDH3A1 P30838 1/20 0.34
ALDH1A3 P47895 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MLYCD O95822 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 1/20 0.33
FDPS P14324 1/20 0.33
TYR P14679 1/20 0.32
CYP2A13 Q16696 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL30798672 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL29956911 0.84 KDM4E (0.46) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL29417132 0.84 TRPV4 (0.52) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL250810 0.84 KDM4E (0.46) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL336320 0.84 TRPV4 (0.52) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL30971683 0.81 KDM4E (0.40) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL2555659 0.81 KDM4E (0.40) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL29989635 0.81 ALDH1A1 (0.37) ALDH1A1TRPV4NFE2L2MLYCD
SCHEMBL23727328 0.78 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1
SCHEMBL20304829 0.78 KDM4E (0.41) ALDH1A1L3MBTL1KDM4EPOLBKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-07-25 US disclosed
EP-4334306-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2024-03-13 EP disclosed
WO-2022235558-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-10 WO disclosed
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
EP-2387570-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2011-11-23 EP disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
US-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-27 US disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 WO disclosed
WO-2010083246-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-07-22 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 (3 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-20110263647-A1 FLUOROISOQUINOLINE SUBSTITUTED THIAZOLE COMPOUNDS AND METHODS OF USE TFEB, PCK2, JAK2 ALDH1A1 2488/4885L3MBTL1 3916/4885KDM4E 3719/4885
US-20240246932-A1 ARYL 3-OXOPIPERAZINE CARBOXAMIDES AND HETEROARYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS TRPV1, SCN8A, SCN2A ALDH1A1 2844/4885L3MBTL1 4098/4885KDM4E 3149/4885
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL ALDH1A1 1657/4885L3MBTL1 3696/4885KDM4E 4018/4885

“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.