SCHEMBL791869

SCHEMBL791869

COC(c1ccccc1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.57
GOPC Q9HD26 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 1/20 0.50
KCNA5 P22460 4/20 0.46
KCNN4 O15554 2/20 0.46
GAA P10253 1/20 0.45
FAAH O00519 1/20 0.43
KCNH2 Q12809 1/20 0.42
CYP19A1 P11511 1/20 0.42

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
SCHEMBL792191 0.94 CFTR (0.52) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL12951102 0.87 MLKL (0.43) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL12925913 0.87 CYP19A1 (0.46) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL11631040 0.86 KMT2A (0.45) CFTRGOPCSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10932062 0.83 MKNK1 (0.49) SMN1; SMN2KCNA5GAAFAAH
SCHEMBL12212134 0.83 IDO1 (0.44) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL461448 0.81 IDO1 (0.47) SLC6A2SLC6A4SLC6A3SMN1; SMN2KDM4E
SCHEMBL26029271 0.81 CFTR (0.57) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10660774 0.81 KCNA5 (0.42) CFTRGOPCSLC6A2SLC6A4SLC6A3
SCHEMBL10665775 0.81 KCNA5 (0.45) CFTRGOPCSLC6A2SLC6A4SLC6A3

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229063-A1 TRANSGENIC CORN EVENT ZM_CSM63715 AND METHODS FOR DETECTION AND USES THEREOF MONSANTO TECHNOLOGY LLC (US) 2024-07-11 US disclosed
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
EP-4230620-A1 SUBSTITUTED N-AMINO-N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2023-08-23 EP disclosed
EP-4230621-A1 SUBSTITUTED N-BENZOIC ACID URACILS, THEIR SALTS AND USE OF SAID COMPOUNDS AS HERBICIDAL AGENTS Bayer AG (DE) 2023-08-23 EP disclosed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2023-07-13 US disclosed
WO-2021013799-A1 SUBSTITUTED N-PHENYL URACILS, SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
WO-2021013800-A1 SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2021-01-28 WO disclosed
US-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYOWA KIRIN CO., LTD. (JP) 2020-06-11 US disclosed
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYOWA HAKKO KIRIN CO., LTD. (JP) 2020-02-04 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (7 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-20200179376-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CFTR 3434/4885GOPC 4671/4885SLC6A2 294/4885
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CFTR 753/4885GOPC 514/4885SLC6A2 4036/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CFTR 890/4885GOPC 788/4885SLC6A2 4248/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CFTR 890/4885GOPC 788/4885SLC6A2 4248/4885
US-10548891-B2 Nitrogen-containing heterocyclic compound having inhibitory effect on production of kynurenine KYNU, KMO, IDO1 CFTR 3434/4885GOPC 4671/4885SLC6A2 294/4885
US-20230218612-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND HAVING INHIBITORY EFFECT ON PRODUCTION OF KYNURENINE KYNU, KMO, IDO1 CFTR 3434/4885GOPC 4671/4885SLC6A2 294/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM CFTR 1994/4885GOPC 2445/4885SLC6A2 650/4885

“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.