SCHEMBL270405

SCHEMBL270405

CCCCCC(CCCCC)N[C]=S

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
LMNA P02545 1/20 0.34
DNM1 Q05193 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
EPHX1 P07099 1/20 0.33
NAAA Q02083 1/20 0.33
FDPS P14324 3/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.31
GPR84 Q9NQS5 2/20 0.31

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
SCHEMBL271231 0.98 DNM1 (0.37) OPRM1LMNADNM1ADH1BADH1C
SCHEMBL269624 0.96 OPRM1 (0.34) OPRM1LMNADNM1ADH1BADH1C
SCHEMBL269571 0.93 DNM1 (0.35) DNM1NAAAFDPSTSHR
SCHEMBL270745 0.88 ALDH1A1 (0.32) DNM1TSHR
SCHEMBL271350 0.84 ALDH1A1 (0.37) DNM1TSHR
SCHEMBL9205635 0.79 ADH1B (0.45) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL270648 0.76 MAPT (0.39) OPRM1LMNAADH1BADH1CADH1A
SCHEMBL11111748 0.74 MAPT (0.42) LMNADNM1ADH1BADH1CADH1A
SCHEMBL20968035 0.74 TSHR (0.39) OPRM1LMNADNM1ADH1BADH1C
SCHEMBL21695172 0.74 DNM1 (0.37) OPRM1LMNADNM1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697309-B1 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF SE (DE) 2014-04-23 EP disclosed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
US-8133851-B2 Heteroaroyl-substituted serine amides BASF SE (DE) 2012-03-13 US disclosed
US-20110318470-A1 Method For Improving Plant Health BASF SE (DE) 2011-12-29 US disclosed
US-20110209253-A1 Method for Improving Plant Health BASF SE (DE) 2011-08-25 US disclosed
EP-2348841-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
EP-2348849-A1 METHOD FOR IMPROVING PLANT HEALTH BASF SE (DE) 2011-08-03 EP disclosed
US-7879761-B2 Herbicides; 1-{Methylcarbamoyl-[(1-methyl-3-trifluoromethyl-1H-pyrazol-4-carbonyl)amino]methyl}-allyl acetate; acylation of keto compounds and reduction of the ketone, or the serine derivative is reacted with a heteroaryl acid and then with a secondary or tertiary amine BASF AKTIENGESELLSCHAFT (DE) 2011-02-01 US disclosed
EP-2121583-B1 HETEROARYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2010-09-22 EP disclosed
US-7786046-B2 Benzoyl-substituted serineamides BASF AKTIENGESELLSCHAFT (DE) 2010-08-31 US disclosed
WO-2000059910-A2 TRICYCLIC PYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000059911-A2 TRICYCLIC CYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-10-12 WO disclosed
WO-2000055158-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed
WO-2000035903-A2 THIOCHROMANOYL CYCLOHEXENONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-22 WO disclosed
WO-2000034270-A1 THIOCHROMANOYLPYRAZOLONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-06-15 WO disclosed
WO-2000014069-A1 CYCLOHEXENONQUINOLINOYL-DERIVATIVES AS HERBICIDAL AGENTS BASF AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed
WO-1999059991-A1 PYRAZOLYLDIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed
EP-0958292-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1999057111-A1 CYCLOHEXENONDIOXOTHIO CHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-11-11 WO disclosed
WO-1998031682-A1 4-(3-HETEROCYCLYL-1-BENZOYL)PYRAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-07-23 WO 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-20110318470-A1 Method For Improving Plant Health BROX, PAH, GUSB OPRM1 4262/4885LMNA 1410/4885DNM1 1420/4885
US-20110209253-A1 Method for Improving Plant Health AADAT, AAAS, GUSB OPRM1 3596/4885LMNA 2001/4885DNM1 1613/4885

“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.