SCHEMBL791073

SCHEMBL791073

CCCCc1ccc[c]n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
IDO1 P14902 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
NOS2 P35228 1/20 0.34
POLB P06746 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
SCHEMBL1975836 0.94 KCNH2 (0.55) KCNH2TDP1L3MBTL1CYP19A1CNR1
SCHEMBL5543727 0.92 KCNH2 (0.58) KCNH2TDP1L3MBTL1CYP19A1
SCHEMBL2254450 0.88
SCHEMBL1387765 0.79
SCHEMBL15923245 0.76 TYR (0.36) TDP1TLR8
SCHEMBL7057516 0.75
SCHEMBL5264341 0.75
SCHEMBL1404092 0.72 KCNH2 (0.83) KCNH2GABRPGABRDGABRA1IDO1
SCHEMBL1809188 0.70
SCHEMBL3343033 0.69

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990135-A FOR TREATING A RETROVIRAL INFECTION SUCH AS HIV INFECTION; FOR EXAMPLE 5S-N-((2-PYRIDINYL)METHOXYCARBONYL)VALINYLAMINO-2-((N-3 -PYRIDINYL)METHOXYCARBONYL)AMINO-4S-HYDROXY-1,6-DIPHENYL-2-AZAHEXANE AND OTHER COMPOUNDS OF GIVEN FORMULA ABBOTT LABORATORIES (US) 1999-11-23 US claimed
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
EP-2746271-B1 Phenyl-substituted 1, 3, 5-triazine compounds as intermediates for electroluminescent molecules TOSOH CORP (JP) 2016-08-17 EP 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
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
US-5326767-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1994-07-05 US disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
US-5157037-A α-arylacrylates substituted by a heterocyclic radical, and fungicides which contain these compounds BASF AKTIENGESELLSCHAFT (DE) 1992-10-20 US disclosed
EP-0477631-A1 Ortho substituted phenylacetic acid amides BASF Aktiengesellschaft (DE) 1992-04-01 EP disclosed
US-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed
US-4631339-A 1,3,5-triazepinones ELI LILLY AND COMPANY (US) 1986-12-23 US disclosed
US-4514564-A 7β-(2'-(1\",3\",5\"-Triazepin-4\"-one)-2'-(oxime ether)-acetamido)-3-substituted cephalosporins ELI LILLY AND COMPANY (US) 1985-04-30 US disclosed
US-4436912-A 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido cephalosporin antibiotics and intermediates therefor ELI LILLY AND COMPANY (US) 1984-03-13 US disclosed
US-4430499-A 7-[2-(2-Aminooxazol-4-yl)-2-(oximino)acetamido]cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1984-02-07 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-20150289506-A1 METHOD FOR PROMOTING PLANT GROWTH FGF2, BROX, BOLA2; BOLA2B KCNH2 3021/4885GABRP 1219/4885GABRD 2480/4885
US-20150305332-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, BROX, FGF2 KCNH2 3625/4885GABRP 2261/4885GABRD 2402/4885
US-20150282482-A1 METHOD FOR PROMOTING PLANT GROWTH BOLA2; BOLA2B, BROX, TET1 KCNH2 3301/4885GABRP 1715/4885GABRD 1900/4885
US-20150289512-A1 METHOD FOR PROMOTING PLANT GROWTH FGF1, MKI67, FGF2 KCNH2 3941/4885GABRP 4535/4885GABRD 4568/4885

“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.