SCHEMBL3364526

SCHEMBL3364526

Cc1cc(C)cc(C(=O)NCc2cccnc2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
TSHR P16473 3/20 0.68
MMP13 P45452 2/20 0.67
LMNA P02545 4/20 0.65
ALDH1A1 P00352 3/20 0.65
HTT P42858 2/20 0.65
MAPT P10636 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.63
USP2 O75604 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
GLA P06280 1/20 0.61
POLB P06746 1/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPK1 P28482 1/20 0.61
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
BLM P54132 1/20 0.60
TRPV1 Q8NER1 1/20 0.60

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
SCHEMBL29437183 0.94 GAA (0.61) GAATSHRMMP13LMNAALDH1A1
SCHEMBL21222741 0.94 GAA (0.61) GAATSHRMMP13LMNAALDH1A1
SCHEMBL13947589 0.89 LMNA (0.78) GAATSHRMMP13LMNAALDH1A1
SCHEMBL13102334 0.87 MMP13 (0.85) GAATSHRMMP13LMNAALDH1A1
SCHEMBL29437161 0.87 MMP13 (0.85) GAATSHRMMP13LMNAALDH1A1
SCHEMBL12330697 0.86 CA2 (0.62) GAATSHRMMP13LMNAALDH1A1
SCHEMBL19623369 0.83 ALDH1A1 (0.78) GAATSHRMMP13LMNAALDH1A1
SCHEMBL7082686 0.83 TSHR (0.73) GAATSHRMMP13LMNAALDH1A1
SCHEMBL21246550 0.83 LMNA (0.61) TSHRMMP13LMNAALDH1A1HTT
SCHEMBL28717596 0.83 MMP13 (0.57) GAATSHRMMP13LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11112654-B2 Liquid crystal display device NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2021-09-07 US disclosed
WO-2019189632-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-10-03 WO disclosed
US-9976086-B2 Liquid crystal aligning agent containing polyimide precursor having thermally-leaving group and/or polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-05-22 US disclosed
US-20160264867-A1 LIQUID CRYSTAL ALIGNING AGENT CONTAINING POLYIMIDE PRECURSOR HAVING THERMALLY-LEAVING GROUP AND/OR POLYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-09-15 US disclosed
US-20160244673-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY DEVICE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-25 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A GAA 1045/4885TSHR 1346/4885MMP13 2590/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 GAA 181/4885TSHR 4634/4885MMP13 1680/4885

“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.