SCHEMBL12295394

SCHEMBL12295394

Cc1cc(Cl)c(C(C)C)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
RAPGEF4 Q8WZA2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
HTT P42858 2/20 0.31
TRPA1 O75762 1/20 0.31
CHRM1 P11229 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CD44 P16070 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 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
SCHEMBL12237882 0.87 LMNA (0.39) LMNARAPGEF4ALDH1A1TSHRHTT
SCHEMBL7033501 0.83 LMNA (0.45) LMNAGABRA1GABRB1ALDH1A1TSHR
SCHEMBL25453150 0.83 CD44 (0.39) LMNANOS3NOS1NOS2ALDH1A1
SCHEMBL27401142 0.79 TSHR (0.36) LMNAALDH1A1TSHRMAPT
SCHEMBL11985992 0.79 ALDH1A1 (0.47) LMNAGABRA1GABRB1RAPGEF4ALDH1A1
SCHEMBL10832009 0.78 LMNA (0.31) LMNARAPGEF4
SCHEMBL22380329 0.78 ALOX15 (0.33) LMNAALDH1A1TSHRMAPT
SCHEMBL26457742 0.78 ALDH1A1 (0.35) GABRA1ALDH1A1
SCHEMBL12889907 0.77 EIF4A3 (0.40) LMNAGABRA1GABRB1ALDH1A1HTT
SCHEMBL807533 0.74 CYP3A4 (0.52) LMNAGABRA1GABRB1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 US disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
WO-2020124397-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
WO-2020125615-A1 C-TERMINAL SRC KINASE INHIBITORS INVENTISBIO SHANGHAI LTD. (CN) 2020-06-25 WO disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
EP-3611166-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
US-9309240-B2 Pyrazolopyridine compounds, compositions and methods of use GENENTECH, INC. (US) 2016-04-12 US disclosed
US-9024021-B2 Diarylacetylene hydrazide containing tyrosine kinase inhibitors SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2015-05-05 US disclosed
US-20130296557-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2013-11-07 US disclosed
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2013-09-26 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 WO disclosed
US-7884234-B2 N-[4-(tert-butyl)benzyl]-N-[4 -(trifluoromethoxy)biphenyl-3-yl]oxamic Acid; Inhibitors of plasminogen activator inhibitor-1 (PAI-1); thrombogenesis, fibrogenesis, accumulation of visceral fat, cell proliferation, angiogenesis INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-02-08 US disclosed
US-20090215899-A9 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-08-27 US disclosed
US-20080249175-A1 N-Phenyloxamide derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-10-09 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 (11 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-20080249175-A1 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 LMNA 488/4885NOS3 347/4885NOS1 153/4885
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 LMNA 2401/4885NOS3 3046/4885NOS1 3205/4885
US-20130252941-A1 PYRAZOLOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE P2RX5, P2RX4, P2RY1 LMNA 3595/4885NOS3 3323/4885NOS1 3515/4885
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 LMNA 2182/4885NOS3 4391/4885NOS1 3473/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 LMNA 2182/4885NOS3 4391/4885NOS1 3473/4885
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP LMNA 2399/4885NOS3 1974/4885NOS1 844/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 LMNA 3839/4885NOS3 2073/4885NOS1 2804/4885
US-20090215899-A9 N-Phenyloxamide derivatives SERPINE1, SERPINH1, F12 LMNA 488/4885NOS3 347/4885NOS1 153/4885
US-20130296557-A1 DIARYLACETYLENE HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS ABL1, LCK, JAK2 LMNA 4259/4885NOS3 3028/4885NOS1 2513/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP LMNA 2399/4885NOS3 1974/4885NOS1 844/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE LMNA 2333/4885NOS3 2735/4885NOS1 3094/4885

“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.