SCHEMBL12377617

SCHEMBL12377617

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
PLK1 P53350 3/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PLAU P00749 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
P2RX3 P56373 2/20 0.35
P2RX2 Q9UBL9 2/20 0.35
MMP13 P45452 2/20 0.35
HTR2A P28223 1/20 0.34
CYP2B6 P20813 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL13430693 0.90 HDAC1 (0.36) LMNAPLK1HPGDALDH1A1PLAU
SCHEMBL12377613 0.82 POLB (0.41) ALDH1A1PLAUSMN1; SMN2TSHRHTT
SCHEMBL12377614 0.81 HTT (0.36) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12379047 0.81 MMP1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12377618 0.79 NPC1 (0.45) LMNATSHR
SCHEMBL10976192 0.76 ALDH1A1 (0.44) ALDH1A1PLAUCHRNB2CHRNB4CHRNA3
SCHEMBL1003340 0.74 ALDH1A1 (0.57) LMNAPLK1HPGDALDH1A1TAS1R3
SCHEMBL24337163 0.74 MAOA (0.39) ALDH1A1SMN1; SMN2TSHRHTT
SCHEMBL14530741 0.74 CYP2C9 (0.41) PLAUTAS1R3TAS1R1P2RX3P2RX2
SCHEMBL14466872 0.73 SMN1; SMN2 (0.62) LMNAHPGDSMN1; SMN2

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 3 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-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

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-20100069499-A1 AMIDE COMPOUND AND USE THEREOF CBR1, CBR3, GBA1 LMNA 3273/4885PLK1 4227/4885HPGD 3994/4885
US-20100105647-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROLLING PLANT DISEASES CYC1, CBR3, CBR1 LMNA 3845/4885PLK1 4731/4885HPGD 3288/4885

“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.