SCHEMBL705727

SCHEMBL705727

Clc1cc(Cl)cc(-c2nnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.35
CYP1A2 P05177 2/20 0.34
POLB P06746 1/20 0.34
CYP2C19 P33261 1/20 0.34
CXCR2 P25025 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 2/20 0.32
SLC9A1 P19634 1/20 0.30

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
SCHEMBL2961529 0.81
SCHEMBL704879 0.80 IDO1 (0.54) ALDH1A1GFERSMN1; SMN2TSHRRAB9A
SCHEMBL491311 0.80 AHR (0.41) CYP1A2POLB
SCHEMBL1774400 0.78 ALPL (0.46) ALDH1A1SMN1; SMN2CYP1A2POLBRAB9A
SCHEMBL13239549 0.78 IKBKB (0.33)
SCHEMBL6176506 0.78 TPMT (0.30)
SCHEMBL6741105 0.74 NOTUM (0.36) POLBSLC9A1
SCHEMBL6160731 0.74 USP2 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL12496639 0.74 PTK2 (0.32)
SCHEMBL2028396 0.74 ADH5 (0.32)

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
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
US-8124584-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-02-28 US disclosed
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS MIAO ZHENWEI 2009-12-10 US disclosed
US-7601709-B2 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2009-10-13 US disclosed
EP-1590442-A4 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARM INC (US) 2007-07-18 EP disclosed
EP-1590442-A3 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-03 EP disclosed
EP-1590442-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS Enanta Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
US-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-07-14 US disclosed
WO-2004072243-A2 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2004-08-26 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20050153877-A1 Macrocyclic hepatitis C serine protease inhibitors PRSS1, SPINT2, TMPRSS4 ALDH1A1 1465/4885GFER 1438/4885RXFP1 4511/4885
US-11932595-B2 VDR-silent vitamin D derivative as inhibitors of SREBP and pharmaceutical use thereof VDR, CYP24A1, CYP2R1 ALDH1A1 1834/4885GFER 1682/4885RXFP1 1182/4885
US-20220081381-A1 VDR-SILENT VITAMIN D DERIVATIVE AS INHIBITORS OF SREBP AND PHARMACEUTICAL USE THEREOF VDR, CYP24A1, CYP2R1 ALDH1A1 1834/4885GFER 1682/4885RXFP1 1182/4885
US-20090304629-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ALDH1A1 1430/4885GFER 1468/4885RXFP1 4508/4885

“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.