SCHEMBL9505812

SCHEMBL9505812

COc1cc(-c2ccccc2)ncn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C19 P33261 2/20 0.66
CYP2C9 P11712 1/20 0.66
ALDH1A1 P00352 3/20 0.54
MIF P14174 1/20 0.53
ASIC3 Q9UHC3 1/20 0.53
KMO O15229 1/20 0.49
TSHR P16473 3/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1B1 Q16678 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
HTR1A P08908 2/20 0.44

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
SCHEMBL25923478 0.81 NPC1 (0.62) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL20705128 0.81 PDK1 (0.47) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL792145 0.81 KMO (0.54) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL29431722 0.81 HSD17B1 (0.55) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL22063717 0.79 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL284286 0.79 ASIC3 (0.71) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL16180445 0.77 CYP1A2 (0.42) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL29406194 0.77 ASIC3 (0.68) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL28218682 0.77 ASIC3 (0.68) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL27904874 0.77 ASIC3 (0.68) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19

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-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-26 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-27 US disclosed
EP-0344735-B1 NON-LINEAR OPTICAL MATERIAL MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-4985179-A VINYLIDENE CYANIDE COPOLYMER, ORGANIC CRYSTAL MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0344735-A2 Non-linear optical material MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-12-06 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 (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-20230337672-A1 METHOD OF CONTROLLING SOYBEAN RUST FUNGUS HAVING RESISTANCE TO QoI FUNGICIDE CYC1, SQOR, MT-CO1 NPC1 2370/4885RAB9A 377/4885SMN1; SMN2 4428/4885
US-20230232827-A1 METHOD FOR CONTROLLING SOYBEAN RUST FUNGUS RESISTANT TO QoI FUNGICIDES CYC1, SQOR, MT-CO3 NPC1 2354/4885RAB9A 531/4885SMN1; SMN2 4452/4885

“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.