SCHEMBL51845

SCHEMBL51845

NCc1ccc(F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
LOXL2 Q9Y4K0 3/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2A P28223 1/20 0.38
PARP1 P09874 2/20 0.38
ABAT P80404 1/20 0.36
ENPP2 Q13822 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL3400966 1.00 KDM4E (0.47) KDM4ELOXL2CYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL148514 0.98 KDM4E (0.46) KDM4ELOXL2CYP1A2CYP2D6CYP2C9
SCHEMBL1363945 0.84 TAAR1 (0.52) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL17823096 0.83 TAAR1 (0.50) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL855443 0.82 LOXL2 (0.46) LOXL2PNMTTAAR1HRH3HTR2A
Hydrochloric Acid SCHEMBL29567776 0.80 LOXL2 (0.44) LOXL2TAAR1HRH3HTR2ACA1
Hydrochloric Acid SCHEMBL16037704 0.80 LOXL2 (0.44) LOXL2TAAR1HRH3HTR2ACA1
SCHEMBL11244115 0.79 KDM4E (0.49) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29418197 0.79 CYP1A2 (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL333551 0.79 CYP1A2 (0.53) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110088089-B Benzyl amino pyridyl cyclopropane carboxylic acid, pharmaceutical composition and application thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
CN-114539237-B IDO inhibitor, preparation method, pharmaceutical composition and application 中国药科大学 2023-05-23 CN disclosed
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-03-16 US disclosed
US-11465989-B2 Guanidine compounds and use thereof ImmunoMet Therapeutics, Inc. (US) 2022-10-11 US disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
CN-114539237-A IDO inhibitor, preparation method, pharmaceutical composition and application 中国药科大学 2022-05-27 CN disclosed
US-20030187020-A1 Chemical compounds AVENTISUB LLC 2003-10-02 US disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
CN-1439003-A Arylmethylamine derivatives useful as tryptase inhibitors AVENTIS PHARM PROD INC (US) 2003-08-27 CN disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
US-20030158188-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBOTT LABORATORIES 2003-08-21 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
EP-1296972-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS Aventis Pharmaceuticals Inc. (US) 2003-04-02 EP disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 WO disclosed
WO-2001090101-A1 ARYLMETHYLAMINE DERIVATIVES FOR USE AS TRYPTASE INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2001-11-29 WO 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 (8 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-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 KDM4E 3503/4885LOXL2 2941/4885CYP1A2 772/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 KDM4E 296/4885LOXL2 2949/4885CYP1A2 146/4885
US-11465989-B2 Guanidine compounds and use thereof PC, TFAM, PCK2 KDM4E 659/4885LOXL2 3557/4885CYP1A2 1528/4885
US-20230080054-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ANO1, ANO2, CACYBP KDM4E 3252/4885LOXL2 3376/4885CYP1A2 4801/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDM4E 1056/4885LOXL2 1225/4885CYP1A2 36/4885
US-20030187020-A1 Chemical compounds CMA1, TPSB2, TPSG1 KDM4E 3000/4885LOXL2 262/4885CYP1A2 781/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KDM4E 1056/4885LOXL2 1225/4885CYP1A2 36/4885
US-20030158188-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, TMEM109, VIPR1 KDM4E 3541/4885LOXL2 2931/4885CYP1A2 828/4885

“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.