SCHEMBL7109894

SCHEMBL7109894

CC(=O)c1ccc(Br)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
CREBBP Q92793 1/20 0.51
MAPT P10636 8/20 0.44
ALDH1A1 P00352 4/20 0.44
PKM P14618 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
S100A4 P26447 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
CYP2A6 P11509 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
HPGD P15428 4/20 0.39

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
SCHEMBL842236 0.83 PRKCI (0.52) PRKCICREBBPMAPTALDH1A1PKM
SCHEMBL30468765 0.83 PRKCI (0.52) PRKCICREBBPMAPTALDH1A1PKM
SCHEMBL9635701 0.83 MAPT (0.52) MAPTALDH1A1TDP1RAB9ANPC1
SCHEMBL29940911 0.81 CDC25B (0.50) MAPTALDH1A1TDP1NPC1GAA
SCHEMBL3031482 0.81 CDC25B (0.50) MAPTALDH1A1TDP1NPC1GAA
SCHEMBL265937 0.80 PRKCI (0.62) PRKCICREBBPMAPTALDH1A1PKM
SCHEMBL3022646 0.80 MAPT (0.47) PRKCIMAPTALDH1A1PKMS100A4
SCHEMBL31495791 0.80 PRKCI (0.62) PRKCICREBBPMAPTALDH1A1PKM
SCHEMBL3926294 0.79 KDM4E (0.66) MAPTALDH1A1PKMTDP1RAB9A
SCHEMBL11666862 0.79 GAA (0.52) PRKCIMAPTALDH1A1TDP1RAB9A

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-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-08-30 US disclosed
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS U.S. DEPARTMENT OF ENERGY 2018-12-27 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663488-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS Viamet Pharmaceuticals (NC), Inc. 2015-12-10 US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-8822520-B2 Substituted bicyclic HCV inhibitors PRESIDIO PHARMACEUTICALS, INC. (US) 2014-09-02 US disclosed
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2010111673-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS PRESIDIO PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-6545053-B1 Aminoethoxyfluorene derivatives are beta-3 adrenaline receptor agonists and are useful as drugs for the treatment and prevention of diabetes, obesity, hyperlipemia, etc. ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-04-08 US disclosed
US-6187809-B1 BETA-3 ADRENALINE RECEPTOR AGONIST DRUGS FOR THE TREATMENT OF DIABETES, OBESITY, AND HYPERLIPEMIA; 2-(N-(2-(DIBENZOFURAN-3-YLOXY)ETHYL)AMINO)-1-PHENYLETHANOL, FOR EXAMPLE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2001-02-13 US disclosed
US-6037362-A CARBAZOLE DERIVATIVES; DEPROTECTING, AMINATION; ANTILIPEMIC AND ANTIDIABETIC AGENTS; B-ADRENALINE RECEPTOR AGONISTS; DIETETICS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-03-14 US disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP disclosed
US-4125614-A DIURETIC HOECHST AKTIENGESELLSCHAFT (DE) 1978-11-14 US disclosed
US-4061761-A Thiazolidine derivatives HOECHST AKTIENGESELLSCHAFT (DT) 1977-12-06 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 (5 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-20150353546-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO PRKCI 1322/4885CREBBP 2985/4885MAPT 2507/4885
US-20180370911-A1 PHOTOCATALYST-FREE, LIGHT-INDUCED CARBON-SULFUR CROSS-COUPLING METHODS TST, CBS, CRY2 PRKCI 3387/4885CREBBP 4234/4885MAPT 3163/4885
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 PRKCI 4116/4885CREBBP 1663/4885MAPT 4602/4885
US-20120028978-A1 SUBSTITUTED BICYCLIC HCV INHIBITORS HAVCR2, LIPC, EIF2AK2 PRKCI 2018/4885CREBBP 705/4885MAPT 3596/4885
US-11427536-B2 Photocatalyst-free, light-induced carbon-sulfur cross-coupling methods TST, CBS, CRY2 PRKCI 3387/4885CREBBP 4234/4885MAPT 3163/4885

“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.