SCHEMBL3727746

SCHEMBL3727746

COc1cccc(C2(C(F)(F)F)NN2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.49
ACHE P22303 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MGAT2 Q10469 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40

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
SCHEMBL24684153 0.81 KDM1A (0.32) KDM1A
SCHEMBL2523866 0.77 ACHE (0.41) ACHEALDH1A1CYP3A4HCAR2CHRNA1
SCHEMBL3727466 0.76 KDM1A (0.53) KDM1AACHECA1CA2CA7
SCHEMBL19871652 0.73 TSHR (0.44) KDM1ACA1CA2CA7CA9
SCHEMBL14216812 0.71 ALDH1A1 (0.36) ALDH1A1PDK2MAPT
SCHEMBL21325311 0.69 HTR2A (0.41) CYP3A4SLC6A2SLC6A3TP53SLC6A4
SCHEMBL28425450 0.68 CA1 (0.52) KDM1AACHECA1CA2CA7
SCHEMBL28277429 0.68 KDM1A (0.56) KDM1AACHECA1CA2CA7
SCHEMBL27860948 0.68 CHRNA1 (0.48) KDM1AACHECA1CA2CA7
1,3-Dimethoxybenzene SCHEMBL901285 0.67 ACHE (0.70) ACHECA1CA2CA7CA9

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11739476-B2 Method of preparing water-based surface treatment agent and water-based surface treatment agent prepared using the same LG HAUSYS, LTD. (KR) 2023-08-29 US disclosed
CN-111051605-B Artificial leather and method for producing same 乐金华奥斯株式会社 2023-04-18 CN disclosed
US-11421381-B2 Artificial leather and method of manufacturing the same LG HAUSYS, LTD. (KR) 2022-08-23 US disclosed
US-20200248402-A1 METHOD OF PREPARING WATER-BASED SURFACE TREATMENT AGENT AND WATER-BASED SURFACE TREATMENT AGENT PREPARED USING THE SAME LG HAUSYS, LTD. (KR) 2020-08-06 US disclosed
US-20200190731-A1 ARTIFICIAL LEATHER AND METHOD OF MANUFACTURING THE SAME LG HAUSYS, LTD. (KR) 2020-06-18 US disclosed
CN-111065775-A Method for producing aqueous surface treating agent and aqueous surface treating agent produced thereby 乐金华奥斯株式会社 2020-04-24 CN disclosed
CN-111051605-A Artificial leather and method for producing same 乐金华奥斯株式会社 2020-04-21 CN disclosed
CN-107075307-B Surface applies application water-based composition and the automobile sheetsteel for being applicable in it 乐金华奥斯有限公司 2019-09-10 CN disclosed
CN-107206764-A seat cover for automobile and manufacturing method thereof 乐金华奥斯有限公司 2017-09-26 CN disclosed
CN-107075307-A Surface applies application waterborne compositions and is applicable its automobile sheetsteel 乐金华奥斯有限公司 2017-08-18 CN disclosed
WO-2013113117-A1 FLUORINATED PHOSPHONIUM IONIC SALTS LINKED TO CARBENE-PRECURSORS THE UNIVERSITY OF WESTERN ONTARIO (CA) 2013-08-08 WO disclosed
CN-102746230-A Method for synthesis of 3-(3-methoxyphenyl)-3-trifluoromethyl-3H-diazirine SHENGSHI TAIKE BIOLOG MEDICAL TECHNOLOGY SUZHOU CO LTD 2012-10-24 CN disclosed
US-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2010-07-08 US disclosed
US-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2010-07-08 US disclosed
US-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2010-07-08 US disclosed
EP-1926992-A2 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS THE UNIVERSITY OF WARWICK (GB) 2008-06-04 EP disclosed
WO-2007020453-A2 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2007-02-22 WO disclosed
WO-2007020453-A2 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS UNIVERSITY OF WARWICK (GB) 2007-02-22 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 (1 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-20100173793-A1 PEPTIDE / PROTEIN IDENTIFICATION USING PHOTOREACTIVE CARRIERS FOR THE IMMOBILISATION OF THE LIGANDS CLTA, CD40, DNPEP KDM1A 4286/4885ACHE 4714/4885CA1 2826/4885

“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.