SCHEMBL7122207

SCHEMBL7122207

O=C(O)c1cc(Br)c(Br)c(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.68
TPMT P51580 5/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TP53 P04637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CA3 P07451 1/20 0.46
MAPT P10636 1/20 0.46
SELL P14151 1/20 0.46
HPGD P15428 1/20 0.46
SELP P16109 1/20 0.46
FUT4 P22083 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46

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
SCHEMBL6431790 0.85 TTR (0.58) TTRTPMTCA12CA1CA2
SCHEMBL1114408 0.81 TTR (1.00) TTRTPMTCA12CA1CA2
SCHEMBL5560892 0.81 TTR (0.65) TTRTPMTCA12CA1CA2
SCHEMBL1071876 0.79 TTR (0.62) TTRTPMTCA12CA1CA2
SCHEMBL28408655 0.79 TTR (0.44) TTRTPMTCA1CA2ALDH1A1
SCHEMBL865991 0.79 TTR (0.62) TTRTPMTCA12CA1CA2
SCHEMBL4847370 0.79 TTR (0.62) TTRTPMTCA12CA1CA2
Hydrochloric Acid SCHEMBL11330913 0.77 TTR (0.60) TTRTPMTCA12CA1CA2
SCHEMBL10756347 0.77 CASP6 (0.55) TTRTPMTKDM4EALDH1A1LMNA
SCHEMBL11818428 0.76 APEX1 (0.41) TTRTPMTCA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230176481-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-06-08 US disclosed
EP-3458047-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR TREATING MICROBIOME DYSREGULATIONS ASSOCIATED WITH CIRCADIAN CLOCK DISRUPTION INST NAT SANTE RECH MED (FR) 2022-08-03 EP disclosed
US-11364219-B2 Methods and pharmaceutical compositions for treating microbiome dysregulations associated with circadian clock disruption INSERM (INSTITUT NATION DE LA SANTÉ ET DE LA RECHERCHE MÉDICALE) (FR) 2022-06-21 US disclosed
CN-109641881-B 1-tetrahydropyranyl carbonyl-2, 3-dihydro-1H-indole compounds for use in the treatment of cancer 伊莱利利公司 2022-01-07 CN disclosed
US-10759786-B2 1-tetrahydropyranylcarbonyl-2,3-dihydro-1H-indole compounds for treating cancer ELI LILLY AND COMPANY (US) 2020-09-01 US disclosed
EP-3468965-B1 1-TETRAHYDROPYRANYLCARBONYL-2,3-DIHYDRO-1H-INDOLE COMPOUNDS FOR TREATING CANCER LILLY CO ELI (US) 2020-04-29 EP disclosed
US-20190161477-A1 1-TETRAHYDROPYRANYLCARBONYL-2,3-DIHYDRO-IH-INDOLE COMPOUNDS FOR TREATING CANCER ELI LILLY AND COMPANY 2019-05-30 US disclosed
EP-3468965-A1 1-TETRAHYDROPYRANYLCARBONYL-2,3-DIHYDRO-1H-INDOLE COMPOUNDS FOR TREATING CANCER Eli Lilly and Company (US) 2019-04-17 EP disclosed
CN-109641881-A 1- THP trtrahydropyranyl carbonyl -2,3- dihydro -1H- benzazolyl compounds for treating cancer 伊莱利利公司 2019-04-16 CN disclosed
US-9872853-B2 2,3-dihydro-1H-indole compounds ELI LILLY AND COMPANY (US) 2018-01-23 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2001023347-A1 NOVEL AROMATIC COMPOUNDS NOVO NORDISK A/S (DK) 2001-04-05 WO disclosed
EP-0977723-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYARENECARBOXYLIC ACIDS Finetech Ltd (IL) 2000-02-09 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1998047853-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYARENECARBOXYLIC ACIDS FINETECH LTD. (IL) 1998-10-29 WO disclosed
EP-0111608-B1 PSEUDOTROPYL HALOGENO-BENZOATES AND THEIR USE IN MIGRAINE TREATMENT MERRELL TORAUDE ET COMPAGNIE (FR) 1987-03-11 EP disclosed
US-4486441-A PROPHYLAXIS MERRELL TORAUDE ET COMPAGNIE (FR) 1984-12-04 US disclosed
US-4469820-A Polyurethane prepared from a polyoxyalkylene containing an oxidation inhibiting amount of a benzoic acid salt BASF WYANDOTTE CORPORATION (US) 1984-09-04 US disclosed
EP-0111608-A1 Pseudotropyl halogeno-benzoates and their use in migraine treatment MERRELL TORAUDE ET COMPAGNIE (FR) 1984-06-27 EP disclosed
US-4426300-A Oxidation stable polyoxyalkylenes containing salts of benzoic acid derivatives BASF WYANDOTTE CORPORATION (US) 1984-01-17 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 (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-20190161477-A1 1-TETRAHYDROPYRANYLCARBONYL-2,3-DIHYDRO-IH-INDOLE COMPOUNDS FOR TREATING CANCER MCL1, IDO1, GLI1 TTR 3531/4885TPMT 1347/4885CA12 704/4885
US-10759786-B2 1-tetrahydropyranylcarbonyl-2,3-dihydro-1H-indole compounds for treating cancer MCL1, FOXM1, IDO1 TTR 3658/4885TPMT 842/4885CA12 846/4885
US-11364219-B2 Methods and pharmaceutical compositions for treating microbiome dysregulations associated with circadian clock disruption PER2, CRY1, CRY2 TTR 4318/4885TPMT 1503/4885CA12 1930/4885

“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.