SCHEMBL4344657

SCHEMBL4344657

N#Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.52
CYP11B2 P19099 2/20 0.46
CYP17A1 P05093 1/20 0.46
CYP11B1 P15538 1/20 0.46
KCNH2 Q12809 1/20 0.46
KIF11 P52732 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
MMP3 P08254 1/20 0.43
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
LPL P06858 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL7449452 0.98 LTA4H (0.50) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
SCHEMBL28485840 0.89 HDAC2 (0.51) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
4-(2,2'-Bithiophen-5-Yl)Benzonitrile SCHEMBL4344574 0.87 PRF1 (0.46) LTA4HKIF11KDM4EALDH1A1MEN1
SCHEMBL28669772 0.86 ADORA2A (0.48) CYP11B2KIF11KDM4EALDH1A1MEN1
SCHEMBL10964644 0.83 KDM1A (0.47) CYP11B2CYP11B1KDM4EALDH1A1MEN1
SCHEMBL10300120 0.83 LTA4H (0.55) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
SCHEMBL7438158 0.82 PRMT6 (0.50) LTA4HKCNH2ALDH1A1MEN1KMT2A
SCHEMBL10964561 0.82 KDM1A (0.46) CYP11B2CYP11B1KDM4EALDH1A1MEN1
SCHEMBL338810 0.82 LTA4H (0.70) LTA4HCYP11B2CYP17A1CYP11B1KCNH2
SCHEMBL15721607 0.82 KCNH2 (0.44) LTA4HKCNH2KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114839366-A Nanoparticle for detecting antigen protein and preparation method thereof 南方科技大学 2022-08-02 CN claimed
CN-113441179-B Thiophene modified covalent triazine framework material and preparation and application thereof 浙江工业大学 2022-05-24 CN claimed
CN-113441179-A Thiophene-modified covalent triazine framework material and preparation and application thereof 浙江工业大学 2021-09-28 CN claimed
US-7517893-B2 Bichalcophenes and their prodrugs as antiprotozoal agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2009-04-14 US claimed
EP-1726589-B1 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIV NORTH CAROLINA (US) 2008-10-15 EP claimed
CN-1935797-A Bichalcophenes and prodrugs thereof as antiprotozoal agents UNIV NORTH CAROLINA (US) 2007-03-28 CN claimed
US-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents TIDWELL RICHARD R 2006-12-28 US claimed
EP-1726589-A2 5,5'-bis-(4-amidinophenyl)-2,2'-bifuran derivatives and related compounds as antiprotozoal agent and prodrugs thereof UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-11-29 EP claimed
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US claimed
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 US claimed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US claimed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP claimed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 WO claimed
WO-2023224579-A1 BISMUTHENE AS A VERSATILE PHOTOCATALYST OPERATING UNDER VARIABLE CONDITIONS FOR THE PHOTOREDOX C–H BOND FUNCTIONALIZATION KOC UNIVERSITESI (TR) 2023-11-23 WO disclosed
CN-116969952-A Diphenyl pyrrolo-pyrrole-dione derivative and pigment composition thereof 山东凯瑞尔光电科技有限公司 2023-10-31 CN disclosed
US-4778899-A PIGMENTS USED IN PLASTICS OR LACQUERS; IMPROVED COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1988-10-18 US disclosed
US-4659775-A COLORING ORGANIC MATERIALS OF HIGH MOLECULAR WEIGHT CIBA-GEIGY CORPORATION (US) 1987-04-21 US disclosed
EP-0184982-A1 Pyrrolo-[3,4-c]-pyrroles and process for their preparation CIBA-GEIGY AG (CH) 1986-06-18 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 (3 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-20060293540-A1 Novel bichalcophenes and their prodrugs as antiprotozoal agents CASP7, DDT, BAD LTA4H 1269/4885CYP11B2 678/4885CYP17A1 4331/4885
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF LTA4H 443/4885CYP11B2 1162/4885CYP17A1 821/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF LTA4H 371/4885CYP11B2 862/4885CYP17A1 700/4885

“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.