SCHEMBL4926871

SCHEMBL4926871

CCCCc1cc[c]nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
NOS2 P35228 1/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
IDO1 P14902 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL1778120 0.88
SCHEMBL792050 0.79
SCHEMBL19009143 0.72 KCNH2 (0.45) KCNH2NOS2GABRPGABRDGABRA1
SCHEMBL12356537 0.70 KCNH2 (0.59) KCNH2MIFCYP19A1ESR1
SCHEMBL9481743 0.69 CYP2D6 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9479951 0.68 SOAT1 (0.40) NPC1RAB9A
SCHEMBL4927706 0.68 KCNH2 (0.34) KCNH2NOS2GABRPGABRDGABRA1
SCHEMBL533287 0.68 KCNH2 (0.38) KCNH2NOS2GABRPGABRDGABRA1
SCHEMBL791073 0.68 KCNH2 (0.47) KCNH2NOS2GABRPGABRDGABRA1
SCHEMBL17103636 0.68 KCNH2 (0.34) KCNH2NOS2ESR1ESR2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9955689-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-01 US disclosed
US-9894901-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-20 US disclosed
US-9872493-B2 Method for promoting plant growth SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-23 US disclosed
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-29 US disclosed
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-15 US disclosed
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-10-08 US disclosed
EP-2926660-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-10-07 EP disclosed
EP-2923573-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
EP-2923574-A1 METHOD FOR PROMOTING PLANT GROWTH Sumitomo Chemical Company Limited (JP) 2015-09-30 EP disclosed
CN-104902752-A Method for promoting plant growth SUMITOMO CHEMICAL CO 2015-09-09 CN disclosed
CN-104902751-A Method for promoting plant growth SUMITOMO CHEMICAL CO 2015-09-09 CN disclosed
CN-104902749-A Method for promoting plant growth SUMITOMO CHEMICAL CO 2015-09-09 CN disclosed
CN-104902750-A Method for promoting plant growth SUMITOMO CHEMICAL CO 2015-09-09 CN disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 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 (5 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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 KCNH2 2955/4885NOS2 2882/4885GABRP 1607/4885
US-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B KCNH2 3021/4885NOS2 659/4885GABRP 1219/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 KCNH2 3625/4885NOS2 550/4885GABRP 2261/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 KCNH2 3301/4885NOS2 492/4885GABRP 1715/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 KCNH2 3941/4885NOS2 108/4885GABRP 4535/4885

“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.