SCHEMBL810830

SCHEMBL810830

O=C([N]Br)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.50
CES2 O00748 4/20 0.50
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
PTPN1 P18031 1/20 0.46
GSK3B P49841 1/20 0.46
TDP1 Q9NUW8 4/20 0.46
CYP3A4 P08684 2/20 0.46
MAPT P10636 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA9 Q16790 2/20 0.46
CYP2C19 P33261 2/20 0.46
POLB P06746 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
SCHEMBL9743657 0.78 GSK3B (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL543877 0.78 CES1 (0.55) CES1CES2TSHRALDH1A1DAO
SCHEMBL1165410 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL10443502 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL611693 0.76 CES1 (0.52) CES1CES2TSHRALDH1A1DAO
SCHEMBL10764490 0.75 CES1 (0.46) CES1CES2TSHRALDH1A1DAO
SCHEMBL15713087 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL14040704 0.74 CES1 (0.57) CES1CES2TSHRALDH1A1DAO
SCHEMBL11645892 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO
SCHEMBL125975 0.74 CES1 (0.50) CES1CES2TSHRALDH1A1DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001041763-A1 TREATMENT OF ADDICTION DISORDERS UNIVERSITY OF CINCINNATI (US) 2001-06-14 WO claimed
EP-0088729-B1 USE OF METAL COMPLEXES OF HYDRAZONES AS PIGMENTS CIBA-GEIGY AG (CH) 1987-07-29 EP claimed
US-4612014-A Use of metal complexes of hydrazones as pigments CIBA-GEIGY CORPORATION (US) 1986-09-16 US claimed
EP-0088729-A1 Use of metal complexes of hydrazones as pigments CIBA-GEIGY AG (CH) 1983-09-14 EP claimed
US-4260540-A SPIN DYEING POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US claimed
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US claimed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 US claimed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS HOLMAN ANDREW 2008-04-17 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 EP disclosed
US-4410530-A CARDIO-SELECTIVE B-RECEPTOR BLOCKING AGENTS AND STIMULANTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0088729-A1 Use of metal complexes of hydrazones as pigments CIBA-GEIGY AG (CH) 1983-09-14 EP disclosed
US-4195090-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1980-03-25 US disclosed
US-4115575-A CARDIOVASCULAR DISORDERS CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4052371-A AZO PIGMENT OR DYE HAVING A NAPHTHYL-QUINAZALONE COUPLING COMPONENT BASF AKTIENGESELLSCHAFT (DT) 1977-10-04 US disclosed
US-4042591-A PIGMENTS, DISPERSE DYES SANDOZ LTD. (CH) 1977-08-16 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 (2 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CES1 256/4885CES2 829/4885TSHR 4805/4885
US-20080089859-A1 ADMINISTRATION OF SLEEP RESTORATIVE AGENTS GAP43, PER2, PSAP CES1 2859/4885CES2 233/4885TSHR 4706/4885

“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.