SCHEMBL3867828

SCHEMBL3867828

Nc1ccc(F)c(F)c1I

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL14964653 0.79 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA4
SCHEMBL30216043 0.79 ALDH1A1 (0.39) ALDH1A1CA12CA1CA2CA4
SCHEMBL13488 0.77 CES2 (0.36) CES2CES1
SCHEMBL12476315 0.75 ALDH1A1 (0.37) ALDH1A1
SCHEMBL12228594 0.75 TSHR (0.36) ALDH1A1CA12CA1CA2CA7
SCHEMBL404991 0.75 TDP1 (0.36) ALDH1A1
SCHEMBL579650 0.75 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20870374 0.75 KDM1A (0.35) ALDH1A1CA12CA1CA2CA4
SCHEMBL29888885 0.75 KDM1A (0.35) ALDH1A1CA12CA1CA2CA4
SCHEMBL16172269 0.75 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2025-12-04 US disclosed
EP-4536660-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2025-04-16 EP disclosed
CN-119325476-A Nitrogen-containing condensed 2, 3-dihydroquinazolinone compounds as NAV1.8 inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2025-01-17 CN disclosed
WO-2024005516-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2024-01-04 WO disclosed
WO-2024005516-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 보로노이 주식회사 2024-01-04 WO disclosed
WO-2023238065-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-12-14 WO disclosed
EP-3116862-B1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-04-17 EP disclosed
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-11-27 US disclosed
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-03-16 US disclosed
EP-3116862-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-01-18 EP disclosed
WO-2015138220-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
WO-2015135091-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-17 WO disclosed
EP-1654269-B1 NOVEL COMPOUNDS MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-15 EP disclosed
US-7521430-B2 N-glucoside compounds having an inhibitory activity against sodium-dependent glucose transporter MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-21 US disclosed
US-20070060545-A1 Novel compounds TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-1654269-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2006-05-10 EP disclosed
WO-2005012321-A1 NOVEL COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2005-02-10 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 (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-20070060545-A1 Novel compounds CYP1B1, CYP2B6, CYP4B1 ALDH1A1 627/4885CA12 1387/4885CA1 1220/4885
US-20170073354-A1 PIPERAZINE DERIVATIVES AS HIV PROTEASE INHIBITORS PREP, CTSZ, PEPD ALDH1A1 955/4885CA12 4777/4885CA1 4713/4885
US-20250368647-A1 NITROGEN CONTAINING CONDENSED 2,3-DIHYDROQUINAZOLINONE COMPOUNDS AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN5A ALDH1A1 2933/4885CA12 3463/4885CA1 1619/4885
US-10138255-B2 Piperazine derivatives as HIV protease inhibitors PREP, CTSZ, PEPD ALDH1A1 955/4885CA12 4777/4885CA1 4713/4885

“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.