SCHEMBL1101932

SCHEMBL1101932

CCCN1C(=O)c2cccc3cccc(c23)C1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.73
HEXA P06865 6/20 0.69
HEXB P07686 6/20 0.69
OGA O60502 1/20 0.67
POLB P06746 2/20 0.64
NR1I2 O75469 1/20 0.64
AHR P35869 1/20 0.64
RAD52 P43351 1/20 0.64
RCE1 Q9Y256 1/20 0.64
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KDM4E B2RXH2 2/20 0.63
GAA P10253 1/20 0.63
MAPT P10636 1/20 0.63
RAB9A P51151 1/20 0.63
HPGD P15428 2/20 0.62
CASP1 P29466 1/20 0.62
MPI P34949 1/20 0.62
CACNA1B Q00975 1/20 0.62
APBA1 Q02410 1/20 0.62

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
SCHEMBL29486056 1.00 CYP1B1 (0.73) CYP1B1HEXAHEXBOGAPOLB
Piperazine SCHEMBL16106150 0.91 CYP1B1 (0.61) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL6278202 0.89 HEXA (0.71) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL2363008 0.88 HEXA (0.71) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL1657181 0.86 HEXA (0.69) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL9625427 0.86 HEXA (0.69) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL9627022 0.86 HEXA (0.69) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL9625295 0.86 HEXA (0.69) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL20893694 0.86 HEXA (0.69) CYP1B1HEXAHEXBOGAPOLB
SCHEMBL14560557 0.86 HEXA (0.69) CYP1B1HEXAHEXBOGAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220228054-A1 FLUORESCENT NAPHTHALIMIDE POLYMERS AND SOLUTIONS THEREOF FOR SCALE CONTROL IN AQUEOUS SYSTEMS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2022-07-21 US disclosed
CN-114174809-A Fluorescent naphthalimide polymers and solutions thereof for water system scale control 诺力昂化学品国际有限公司 2022-03-11 CN disclosed
US-20210171759-A1 SULFONATED MODIFIERS FOR FROTH FLOTATION ECOLAB USA INC. 2021-06-10 US disclosed
US-10927248-B2 Sulfonated modifiers for froth flotation ECOLAB USA INC. (US) 2021-02-23 US disclosed
WO-2020243168-A1 FLUORESCENT NAPHTHALIMIDE POLYMERS AND SOLUTIONS THEREOF FOR SCALE CONTROL IN AQUEOUS SYSTEMS NOURYON CHEMICALS INTERNATIONAL B.V. (NL) 2020-12-03 WO disclosed
CN-109554004-A Pigment dispersing agent and application thereof 江苏丽王科技股份有限公司 2019-04-02 CN disclosed
US-20180057680-A1 SULFONATED MODIFIERS FOR FROTH FLOTATION ECOLAB USA INC. 2018-03-01 US disclosed
US-9904167-B2 Compound, active light sensitive or radiation sensitive resin composition, resist film using same, resist-coated mask blank, photomask, pattern forming method, method for manufacturing electronic device, and electronic device FUJIFILM CORPORATION (JP) 2018-02-27 US disclosed
US-9730876-B2 Process for dyeing keratin fibres comprising a dye-pigment, a photoactive compound and a light source L'OREAL (FR) 2017-08-15 US disclosed
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-04-28 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-7615563-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2009-11-10 US disclosed
US-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2008-02-21 US disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 US disclosed
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED 2006-02-02 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-20080293649-A1 ANTIBACTERIAL 4,5-SUBSTITUTED AMINOGLYCOSIDE ANALOGS HAVING MULTIPLE SUBSTITUENTS ALG8, MRPL21, AADAC CYP1B1 3255/4885HEXA 829/4885HEXB 1156/4885
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CYP1B1 4263/4885HEXA 2173/4885HEXB 2206/4885
US-20160116840-A1 COMPOUND, ACTIVE LIGHT SENSITIVE OR RADIATION SENSITIVE RESIN COMPOSITION, RESIST FILM USING SAME, RESIST-COATED MASK BLANK, PHOTOMASK, PATTERN FORMING METHOD, METHOD FOR MANUFACTURING ELECTRONIC DEVICE, AND ELECTRONIC DEVICE CHRM1, ESR1, RER1 CYP1B1 244/4885HEXA 3991/4885HEXB 3992/4885
US-20080045468-A1 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS MTAP, UNG, PNMT CYP1B1 3084/4885HEXA 944/4885HEXB 1478/4885
US-20060025415-A1 Compositions useful as inhibitors of voltage-gated sodium channels SCNN1G, KCNN3, KCNN2 CYP1B1 4263/4885HEXA 2173/4885HEXB 2206/4885

“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.