SCHEMBL3396994

SCHEMBL3396994

O=C(O)c1ccc(N=C=S)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
CASP1 P29466 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 3/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 4/20 0.41
MYC P01106 1/20 0.41
NR4A1 P22736 1/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 2/20 0.41
PDE4A P27815 1/20 0.41
BLVRB P30043 1/20 0.41
KDR P35968 1/20 0.41
CHRM1 P11229 1/20 0.40
RAD1 O60671 1/20 0.40
P2RY6 Q15077 1/20 0.40
MIF P14174 1/20 0.39
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL9064961 0.84 MEN1 (0.48) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL1498097 0.83 TSHR (0.61) TSHRCASP1SMN1; SMN2TDP1MAPK1
SCHEMBL1498095 0.83 TSHR (0.61) TSHRCASP1SMN1; SMN2TDP1MAPK1
SCHEMBL9430351 0.81 ALDH1A1 (0.43) SMN1; SMN2TDP1MAPK1HSD17B10ALDH1A1
SCHEMBL1483825 0.81 ABL1 (0.43) CASP1SMN1; SMN2TDP1MAPK1HSD17B10
SCHEMBL3399131 0.81 ALDH1A1 (0.50) TSHRTDP1MAPK1HSD17B10ALDH1A1
SCHEMBL15391204 0.79 HSD17B10 (0.41) TDP1HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL25393567 0.79 RAB9A (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL3395948 0.77 MEN1 (0.70) TSHRCASP1SMN1; SMN2TDP1HSD17B10
SCHEMBL22597915 0.76 MEN1 (0.44) TDP1HSD17B10ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102602-B2 Method for producing isothiocyanate compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-11 US disclosed
US-9102602-B2 Method for producing isothiocyanate compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-11 US disclosed
US-9102602-B2 Method for producing isothiocyanate compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-11 US disclosed
CN-101965331-B Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
EP-2647623-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2013-10-09 EP disclosed
EP-2647623-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2013-10-09 EP disclosed
US-20130245305-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245305-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-20130245305-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-09-19 US disclosed
US-8367857-B2 Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-05 US disclosed
CN-101965331-A Method for producing isothiocyanate compound having carboxyl group NISSAN CHEMICAL IND LTD 2011-02-02 CN disclosed
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2010-12-09 US disclosed
EP-2248800-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP Nissan Chemical Industries, Ltd. (JP) 2010-11-10 EP disclosed
EP-1438046-A4 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMA (US) 2004-10-20 EP disclosed
EP-1438046-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2004-07-21 EP disclosed
US-6720346-B2 (4-AMINOTHIAZOL-2-YLAMINO)-BENZAMIDE COMPOUNDS; PROTEIN KINASE INHIBITORS; CANCER; AUTOIMMUNE, VIRAL, FUNGAL, NEURODEGENERATIVE, AND CARDIOVASCULAR DISORDERS AGOURON PHARMACEUTICALS, INC. 2004-04-13 US disclosed
US-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use AGOURON PHARMACEUTICALS INC. 2003-12-04 US disclosed
WO-2003004467-A2 THIAZOLE BENZAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING CELL PROLIFERATION, AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. (US) 2003-01-16 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 (3 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-20030225147-A1 Thiazole benzamide derivatives and pharmaceutical compositions for inhibiting cell proliferation, and methods for their use TK1, MKI67, CDKN1A TSHR 2198/4885CASP1 318/4885SMN1; SMN2 3198/4885
US-20100312000-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND HAVING CARBOXYL GROUP CBS, CTH, TST TSHR 2373/4885CASP1 2567/4885SMN1; SMN2 4665/4885
US-20130245305-A1 METHOD FOR PRODUCING ISOTHIOCYANATE COMPOUND TST, CTH, ICMT TSHR 2627/4885CASP1 2523/4885SMN1; SMN2 4842/4885

“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.