SCHEMBL2098339

SCHEMBL2098339

Nc1ccc2c(c1)OOC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPT P10636 8/20 0.38
KDM4E B2RXH2 5/20 0.38
GAA P10253 4/20 0.38
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
MITF O75030 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.31
CASP7 P55210 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
SCHEMBL7158984 0.83 LMNA (0.50) CA9CA12CA1CA2MAPT
SCHEMBL1122453 0.79 MAPT (0.40) CA9CA12CA1CA2MAPT
SCHEMBL3838626 0.76 MAPT (0.38) CA9CA12CA1CA2MAPT
SCHEMBL8614472 0.75 ACHE (0.38) CA9CA12CA1CA2MAPT
SCHEMBL994489 0.75 MAPT (0.44) CA9CA12CA1CA2MAPT
SCHEMBL6737529 0.74
SCHEMBL11816254 0.74 AHR (0.43) MAPTLMNATDP1CYP3A4TSHR
SCHEMBL1486292 0.74
SCHEMBL90928 0.74 MMP12 (0.34) MAPTGAAALDH1A1HSD17B10
SCHEMBL13652506 0.74 AHR (0.43) MAPTKDM4ESMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds THE PROCTER & GAMBLE COMPANY (US) 2007-07-26 US claimed
EP-1311231-B1 AGENT FOR COLOURING KERATIN-CONTAINING FIBRES COMPRISING AT LEAST ONE OXOCYCLOPENTENE DERIVATIVE HENKEL KGAA (DE) 2006-11-22 EP claimed
EP-1292271-B1 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KGAA (DE) 2006-11-08 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US claimed
EP-1139989-B1 AGENT FOR COLORING KERATINACEOUS FIBERS HENKEL KGAA (DE) 2006-10-18 EP claimed
US-7056349-B2 Agent containing quinonimine derivatives and used to color keratin fibres, and associated method WELLA AG (DE) 2006-06-06 US claimed
EP-1198457-B1 QUATERNIZED AZAFLUORENONES AND THEIR USE IN AGENTS FOR DYING FIBERS CONTAINING KERATIN HENKEL KGAA (DE) 2005-12-14 EP claimed
US-6936077-B2 1,3-diamino-4-(aminomethyl)—benzene derivatives and colorants containing the said compounds WELLA AG (DE) 2005-08-30 US claimed
US-5683474-A HAIR DYES AND OXIDATION DYE PRECURSOR WITH OXIDIZERS L'OREAL (FR) 1997-11-04 US claimed
US-5053052-A Washfast, lightfast oxidation color dyes L'OREAL (FR) 1991-10-01 US claimed
EP-0241716-B1 PROCESS AND COMPOSITION FOR OXIDATIVE HAIR DYEING Wella Aktiengesellschaft (DE) 1990-08-29 EP claimed
US-9102617-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-08-11 US disclosed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US disclosed
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2012-08-02 US disclosed
US-8163943-B2 Epoxycarboxamide compound, azide compound, and amino alcohol compound, and process for preparing α-keto amide compound using them SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2012-04-24 US disclosed
WO-1998005639-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed
US-5494911-A TREATING LEUKEMIA, SARCOMA, CARCINOMA, LYMPHOMA, SKIN CANCER HOECHST AKTIENGESELLSCHAFT (DE) 1996-02-27 US disclosed
US-5384423-A Intermediates for antiinflammatory agents ROUSSEL-UCLAF (FR) 1995-01-24 US disclosed
EP-0387360-A1 CYANINE COMPOUNDS ASAHI CHEMICAL CO., LTD. (JP) 1990-09-19 EP 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-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 CA9 2779/4885CA12 4481/4885CA1 4586/4885
US-20120197015-A1 EPOXYCARBOXAMIDE COMPOUND, AZIDE COMPOUND, AND AMINO ALCOHOL COMPOUND, AND PROCESS FOR PREPARING a-KETO AMIDE COMPOUND USING THEM AKR1C1, AKR1C4, AADAC CA9 1323/4885CA12 1952/4885CA1 1795/4885
US-20070169287-A1 P-diaminobenzene derivatives and dyes containing these compounds KRT18, DSP, DSG1 CA9 1848/4885CA12 1005/4885CA1 1885/4885

“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.