SCHEMBL973561

SCHEMBL973561

C=CCNS(=O)(=O)N(CCC)C(=O)c1cc(N=C=S)c(F)cc1Cl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
HPGD P15428 2/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL977041 0.91 HPGD (0.31) HPGDRAB9A
SCHEMBL974813 0.82 HPGD (0.33) HTTRECQLHPGDALDH1A1RAB9A
SCHEMBL975290 0.79 VCAM1 (0.36) HTTHPGDALDH1A1RAB9A
SCHEMBL973560 0.79 SCN9A (0.34) HTTRECQL
SCHEMBL3540542 0.72 LMNA (0.31) HPGD
SCHEMBL977040 0.70 SCN9A (0.34) HTTRECQL
SCHEMBL9051631 0.67 GAA (0.40) HTTHPGDALDH1A1RAB9A
SCHEMBL9492204 0.67 KEAP1 (0.38) HPGDALDH1A1RAB9A
SCHEMBL3540540 0.66 POLB (0.34)
SCHEMBL9419230 0.66 POLB (0.33) HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
US-8232421-B2 Bifunctional phenyl ISO (THIO) cyanates, processes and intermediates for their preparation BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7820846-B2 by phosgenation of an aminobenzoylsulfamic acid amide intermediate; prepared from a p-nitrobenzoyl chloride or benzoate and a sulfamic acid amide and reducing the nitrobenzoylsulfamic acid amide; isocyanates are crop protection agents BASF AKTIENGESELLSCHAFT (DE) 2010-10-26 US disclosed
US-7737275-B2 Method for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
US-20060293520-A1 Mehtod for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 US disclosed
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 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 (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-20060293520-A1 Mehtod for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils HPRT1, TH, METTL3 HTT 625/4885RECQL 1642/4885HPGD 1550/4885
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION TST, IDO1, TMT1A HTT 110/4885RECQL 2201/4885HPGD 492/4885
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION TST, IDO1, IDO2 HTT 134/4885RECQL 2294/4885HPGD 477/4885
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation TST, TMT1A, IDO1 HTT 129/4885RECQL 2302/4885HPGD 582/4885

“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.