SCHEMBL12377614

SCHEMBL12377614

C#CCOc1c(C)cc(C(=O)Cl)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.36
GLRA1 P23415 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PDE4B Q07343 1/20 0.34
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CYP2B6 P20813 1/20 0.33

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
SCHEMBL3223660 0.88 HTT (0.45) HTTKDM4EALDH1A1GAAPDE4B
SCHEMBL12377613 0.85 POLB (0.41) HTTPOLBMAPTNPSR1KDM4E
SCHEMBL12377618 0.82 NPC1 (0.45) MAPTTSHRGSTP1CA12CA9
SCHEMBL12377617 0.81 LMNA (0.40) HTTALDH1A1TSHRCHRNB2CHRNB4
SCHEMBL2284030 0.81 HTT (0.49) HTTPOLBALDH1A1GAAPDE4B
SCHEMBL2285882 0.80 NPC1 (0.35) HTTGLRA1POLBMAPTTSHR
SCHEMBL12379054 0.80 HTT (0.34) HTTPOLBMAPTNPSR1KDM4E
SCHEMBL3697699 0.77 GSTP1 (0.42) POLBMAPTNPSR1MAOAMAOB
SCHEMBL10347561 0.76 HTT (0.50) HTTPOLBKDM4EALDH1A1TSHR
SCHEMBL24337163 0.76 MAOA (0.39) HTTPOLBMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003699-B2 Amide compound and use thereof for controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-23 US disclosed
US-7902400-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-08 US disclosed
US-7714168-B2 N-(1,1-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; N-(2,2-diemthylpropyl)-4-(2-propynyloxy)-3-methoxybenzamide; controlling plant diseases SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES SUMITOMO CHEMICAL COMPANY, LIMITED 2010-04-29 US disclosed
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-18 US disclosed
US-20090131531-A1 Amide Compounds and their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-05-21 US disclosed
US-20080319080-A1 Amide Compounds and Their Use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-25 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 (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-20090131531-A1 Amide Compounds and their Use NAT1, ACAT2, NAAA HTT 1567/4885GLRA1 983/4885POLB 2260/4885
US-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 HTT 4277/4885GLRA1 294/4885POLB 3698/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 HTT 3758/4885GLRA1 418/4885POLB 4554/4885
US-20080319080-A1 Amide Compounds and Their Use NAT1, ACAT2, NAAA HTT 1696/4885GLRA1 994/4885POLB 2476/4885

“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.