SCHEMBL1774388

SCHEMBL1774388

Clc1ccccc1-c1nnn[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.47
LDHA P00338 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
CYP1A2 P05177 1/20 0.46
ALPL P05186 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NR1H2 P55055 1/20 0.46
NR1H3 Q13133 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL30629345 1.00 DCUN1D1 (0.47) DCUN1D1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL12615990 0.85 ALDH1A1 (0.38) DCUN1D1LDHAALDH1A1KMT2AIDO1
SCHEMBL1200471 0.85 NOTUM (0.42) DCUN1D1LDHACYP2D6IDO1NOTUM
SCHEMBL1308125 0.82 CHEK1 (0.36) DCUN1D1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL5814847 0.82 KMO (0.36) DCUN1D1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL15372746 0.82 IDO1 (0.45) DCUN1D1LDHANPC1RAB9ASMN1; SMN2
SCHEMBL5815118 0.78 JAK2 (0.41) LDHACYP1A2LMNAPTGESGUSB
SCHEMBL5815364 0.77 ALDH1A1 (0.49) SMN1; SMN2HPGDTP53ALDH1A1KMT2A
SCHEMBL705941 0.77 HSD11B1 (0.44) NPC1RAB9ASMN1; SMN2HPGDTP53
SCHEMBL12496464 0.77 ESR1 (0.39) DCUN1D1LDHANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117106189-A Metal organic framework artificial hydrolase and preparation method and application thereof 华南理工大学 2023-11-24 CN claimed
EP-0312353-B1 Zearalanol derivatives with anabolic activity MALLINCKRODT VETERINARY INC (US) 1995-05-17 EP claimed
EP-0312353-A2 Zearalanol derivatives with anabolic activity MALLINCKRODT VETERINARY, INC. (US) 1989-04-19 EP claimed
JP-8269023-A None JP disclosed
US-11932595-B2 VDR-silent vitamin D derivative as inhibitors of SREBP and pharmaceutical use thereof KYOTO UNIVERSITY, NATIONAL UNIVERSITY CORPORATION TOKYO UNIVERSITY OF AGRICULTURE AND TECHNOLOGY, TEIKYO UNIVERSITY and THE UNIVERSITY OF TOKYO (JP) 2024-03-19 US disclosed
WO-2022061193-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF KYOTO UNIVERSITY (JP) 2022-03-24 WO disclosed
US-20220081381-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF KYOTO UNIVERSITY (JP) 2022-03-17 US disclosed
CN-103641820-B Tetrazolium imines coumarins copper ion fluorescence probe and preparation method thereof NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-01-20 CN disclosed
CN-103641820-A Tetrazolium imine coumarins copper ion fluorescence probe and preparation method thereof UNIV NANJING SCIENCE & TECH 2014-03-19 CN disclosed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
US-8569528-B2 Process for the preparation of tetrazole derivatives from organo boron and organo aluminium azides NOVARTIS AG (CH) 2013-10-29 US disclosed
JP-H08269023-A PRODUCTION OF 5-SUBSTITUTED TETRAZOLE COMPOUND SUMITOMO CHEM CO LTD 1996-10-15 JP disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 EP disclosed
WO-1996013489-A1 PROCESS FOR THE PREPARATION OF TETRAZOLES NOVARTIS AG (CH) 1996-05-09 WO disclosed
EP-0312353-B1 Zearalanol derivatives with anabolic activity MALLINCKRODT VETERINARY INC (US) 1995-05-17 EP disclosed
US-4849447-A GROWTH PROMOTERS FOR MEAT-PRODUCING ANIMALS PITMAN-MOORE, INC. (US) 1989-07-18 US disclosed
EP-0312353-A2 Zearalanol derivatives with anabolic activity MALLINCKRODT VETERINARY, INC. (US) 1989-04-19 EP disclosed
US-4647572-A Iodoallyl and iodopropargyl substituted tetrazoles and anti-microbial compositions thereof MEIJI SEIKA KAISHA, LTD. (JP) 1987-03-03 US disclosed
EP-0107859-A1 Tetrazole compounds, process for preparing the same and antibacterial and antifungal compositions containing the same as active ingredient MEIJI SEIKA KAISHA LTD. (JP) 1984-05-09 EP disclosed
US-4388463-A 6-Keto-morphinan analgesics THE UNITED STATES OF AMERICA AS REPRESENTED BY SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1983-06-14 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 (2 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-11932595-B2 VDR-silent vitamin D derivative as inhibitors of SREBP and pharmaceutical use thereof VDR, CYP24A1, CYP2R1 DCUN1D1 2933/4885LDHA 3694/4885NPC1 206/4885
US-20220081381-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 DCUN1D1 2933/4885LDHA 3694/4885NPC1 206/4885

“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.