SCHEMBL21756097

SCHEMBL21756097

O=Cc1ccc(C2CC2)c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 2/20 0.37
PABPC1 P11940 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2A6 P11509 2/20 0.36
IMPDH2 P12268 2/20 0.36
PDK2 Q15119 2/20 0.36
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
IDO1 P14902 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL982388 0.78 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL29786760 0.78 KMT2A (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL27826197 0.77 KDM4E (0.44) MEN1KMT2ALMNAHTR6KDM4E
SCHEMBL21756096 0.77 KDM4E (0.44) MEN1KMT2ALMNAHTR6KDM4E
SCHEMBL548147 0.75 LMNA (0.52) MEN1KMT2ALMNATHRBBLM
Bromide SCHEMBL27826237 0.75 KDM4E (0.43) MEN1KMT2ALMNAHTR6KDM4E
SCHEMBL4245330 0.73 MEN1 (0.61) MEN1KMT2ALMNATHRBBLM
SCHEMBL574426 0.73 TDP1 (0.36) TDP1HTR6L3MBTL1DRD2SLC6A4
SCHEMBL28379655 0.73 PABPC1 (0.51) HTR6PABPC1PDK2IDO1ALDH1A1
SCHEMBL14620684 0.71 MEN1 (0.46) MEN1KMT2ALMNATHRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102040546-A Preparation method of 4-cyclopropyl-1-naphthaline isothiocyanate and intermediate 4-cyclopropyl-1-naphthaldehyde oxime/halide TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2011-05-04 CN claimed
US-20200062720-A1 NOVEL PREPARATION METHOD FOR ANTI-GOUT DRUG LESINURAD, AND KEY INTERMEDIATE THEREOF ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2020-02-27 US disclosed
CN-105153056-A New preparation method of [5-bromo-4-(4-cyclopropyl-naphthalene-1-yl)-4H-[1, 2, 4]triazole-3-ylthioalkyl]-methyl acetate ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2015-12-16 CN disclosed
CN-105017168-A New preparation method of [5-bromo-4-(4-cyclopropyl-naphthalene-1-yl)-4H-[1, 2, 4]triazole-3-ylsulfanyl]-methyl acetate ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-105017169-A Preparation method for 4-(4-cyclopropyl-naphthalene-1-yl)-5-thio-[1,2,4]triazolidine-3-ketone and intermediate 4-cyclopropyl-naphthalene-1-yl-ethyl carbamate ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-104987311-A Preparing method for (4-(4-cyclopropyl-naphthalene-1-yl)-5-nitr-4H-(1, 2, 4) triazole-3-ylsulfanyl)-ethyl acetate and intermediate (5-nitr-4H-(1, 2, 4) triazole-3-sulfenyl)-ethyl acetate thereof ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2015-10-21 CN disclosed
CN-103524440-B The preparation method of gout therapertics Lesinurad and Lesinurad intermediate SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2015-09-09 CN disclosed
CN-104529848-A A method for synthesizing 4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione ANHUI WANBANG MEDICAL TECHNOLOGY CO LTD 2015-04-22 CN disclosed
CN-102040546-B Preparation method of 4-cyclopropyl-1-naphthaline isothiocyanate and intermediate 4-cyclopropyl-1-naphthaldehyde oxime/halide TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO., LTD. (CN) 2014-10-15 CN disclosed
CN-102040546-B Preparation method of 4-cyclopropyl-1-naphthaline isothiocyanate and intermediate 4-cyclopropyl-1-naphthaldehyde oxime/halide TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO., LTD. (CN) 2014-10-15 CN disclosed
CN-103524440-A Preparation method of gout curative medicine Lesinurad and midbody of Lesinurad SUZHOU PENGXU PHARMATECH CO LTD 2014-01-22 CN disclosed
CN-102040546-A Preparation method of 4-cyclopropyl-1-naphthaline isothiocyanate and intermediate 4-cyclopropyl-1-naphthaldehyde oxime/halide TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2011-05-04 CN disclosed
CN-102040546-A Preparation method of 4-cyclopropyl-1-naphthaline isothiocyanate and intermediate 4-cyclopropyl-1-naphthaldehyde oxime/halide TAIZHOU CITY HWASUN PHARMACUETICAL AND CHEMICAL CO LTD 2011-05-04 CN 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-20200062720-A1 NOVEL PREPARATION METHOD FOR ANTI-GOUT DRUG LESINURAD, AND KEY INTERMEDIATE THEREOF TXNRD3, TXNRD1, CBR3 MEN1 4356/4885KMT2A 2161/4885LMNA 2762/4885

“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.