SCHEMBL2097494

SCHEMBL2097494

COc1ccc(F)cc1C(=O)CBr

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.54
PTPN1 P18031 1/20 0.46
PIN1 Q13526 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 3/20 0.44
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
GSK3B P49841 1/20 0.42
AR P10275 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL29586157 1.00 HPGDS (0.54) HPGDSPTPN1PIN1SMN1; SMN2RAB9A
SCHEMBL1121702 0.87 NPC1 (0.55) HPGDSPTPN1SMN1; SMN2RAB9ANPC1
SCHEMBL30620888 0.85 HMGCR (0.53) PIN1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL9720553 0.85 HMGCR (0.53) PIN1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL5023065 0.84 MRGPRX1 (0.47) HPGDSPTPN1SMN1; SMN2PKMMAPT
SCHEMBL23116699 0.83 PIN1 (0.45) PIN1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL20855539 0.83 KMT2A (0.48) PIN1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL2096737 0.83 HPGDS (0.57) HPGDSSMN1; SMN2LMNAGSK3BMEN1
SCHEMBL29622845 0.82 KEAP1 (0.53) PIN1SMN1; SMN2RAB9ANPC1PKM
SCHEMBL113562 0.82 KEAP1 (0.53) PIN1SMN1; SMN2RAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12593845-B2 2,6-dioxo-3,6-dihydropyrimidine compound, agricultural and horticultural bactericide, nematicide, and medical and veterinary antifungal agent NIPPON SODA CO., LTD. (JP) 2026-04-07 US disclosed
US-20240260575-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION NIPPON SODA CO., LTD. (JP) 2024-08-08 US disclosed
US-20240114908-A1 2,6-DIOXO-3,6-DIHYDROPYRIMIDINE COMPOUND, AGRICULTURAL AND HORTICULTURAL BACTERICIDE, NEMATICIDE, AND MEDICAL AND VETERINARY ANTIFUNGAL AGENT NIPPON SODA CO., LTD. (JP) 2024-04-11 US disclosed
EP-4344545-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION Nippon Soda Co., Ltd. (JP) 2024-04-03 EP disclosed
WO-2023017699-A1 3-SUBSTITUTED URACIL COMPOUND, AGRICULTURAL AND HORTICULTURAL GERMICIDE, NEMATICIDE, AND MEDICAL AND ANIMAL ANTIFUNGAL AGENT 日本曹達株式会社 2023-02-16 WO disclosed
WO-2022230804-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION 日本曹達株式会社 2022-11-03 WO disclosed
WO-2022224924-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AGRICULTURAL AND HORTICULTURAL ANTI-BACTERIAL AGENT, NEMATICIDE, AND ANTI-FUNGAL AGENT FOR MEDICAL AND VETERINARY USES 日本曹達株式会社 2022-10-27 WO disclosed
EP-4053120-A1 2,6-DIOXO-3,6-DIHYDROPYRIMIDINE COMPOUND, AGRICULTURAL AND HORTICULTURAL BACTERICIDE, NEMATICIDE, AND MEDICAL AND VETERINARY ANTIFUNGAL AGENT Nippon Soda Co., Ltd. (JP) 2022-09-07 EP disclosed
CN-114585610-A 2, 6-dioxo-3, 6-dihydropyrimidine compound, and agricultural and horticultural bactericide, nematicide, and medical and animal antifungal agent 日本曹达株式会社 2022-06-03 CN disclosed
CN-108290902-B Ester ACC inhibitors and uses thereof 吉利德阿波罗公司 2021-08-31 CN disclosed
EP-2265606-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2010-12-29 EP disclosed
EP-1583742-B1 CB 1 RECEPTOUR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2009-12-02 EP disclosed
US-20090274652-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 US disclosed
WO-2009129109-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-22 WO disclosed
US-7579369-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7294644-B2 CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. (US) 2007-11-13 US disclosed
US-20070238754-A1 Novel CB 1 receptor inverse agonists MAYWEG ALEXANDER 2007-10-11 US disclosed
EP-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
US-20040167129-A1 Novel CB 1 receptor inverse agonists HOFFMANN-LA ROCHE INC. 2004-08-26 US disclosed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 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 (6 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-12593845-B2 2,6-dioxo-3,6-dihydropyrimidine compound, agricultural and horticultural bactericide, nematicide, and medical and veterinary antifungal agent CASP6, GMDS, HPD HPGDS 1973/4885PTPN1 426/4885PIN1 1854/4885
US-20240260575-A1 AGRICULTURAL AND HORTICULTURAL FUNGICIDAL COMPOSITION CYP51A1, PIK3C3, AADAC HPGDS 4836/4885PTPN1 126/4885PIN1 660/4885
US-20090274652-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL HPGDS 544/4885PTPN1 1786/4885PIN1 2196/4885
US-20040167129-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, ARRB1 HPGDS 1346/4885PTPN1 991/4885PIN1 4308/4885
US-20070238754-A1 Novel CB 1 receptor inverse agonists CNR1, CNR2, GPR139 HPGDS 1536/4885PTPN1 946/4885PIN1 4300/4885
US-20240114908-A1 2,6-DIOXO-3,6-DIHYDROPYRIMIDINE COMPOUND, AGRICULTURAL AND HORTICULTURAL BACTERICIDE, NEMATICIDE, AND MEDICAL AND VETERINARY ANTIFUNGAL AGENT BROX, HPD, DAXX HPGDS 1433/4885PTPN1 1934/4885PIN1 303/4885

“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.