Isothiocyanate

Isothiocyanate

SCHEMBL1219403

FC(F)(F)c1ccccc1Cl.N=C=S

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
KCNN4 O15554 1/20 0.39
AR P10275 2/20 0.39
PYCR1 P32322 1/20 0.37
SLC22A12 Q96S37 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
CYP19A1 P11511 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35

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
SCHEMBL20558581 0.88 MEN1 (0.41) HSD11B1KCNN4ARPYCR1SLC22A12
SCHEMBL29467226 0.87 KCNN4 (0.48) HSD11B1KCNN4ARPYCR1LMNA
SCHEMBL5966718 0.87 KCNN4 (0.48) HSD11B1KCNN4ARPYCR1LMNA
SCHEMBL117692 0.87 KCNN4 (0.48) HSD11B1KCNN4ARPYCR1LMNA
Benzene SCHEMBL29136712 0.84 KCNN4 (0.52) HSD11B1KCNN4ARPYCR1LMNA
SCHEMBL5607381 0.84 KCNN4 (0.46) HSD11B1KCNN4ARPYCR1LMNA
Ammonia Solution, Strong SCHEMBL15562823 0.84 KCNN4 (0.46) HSD11B1KCNN4ARPYCR1LMNA
SCHEMBL29057192 0.84 KCNN4 (0.46) HSD11B1KCNN4ARPYCR1LMNA
SCHEMBL4463108 0.84 KCNN4 (0.46) HSD11B1KCNN4ARPYCR1LMNA
SCHEMBL28034993 0.84 KCNN4 (0.46) HSD11B1KCNN4ARPYCR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104710355-B The preparation method and purposes of diphenyl thiourea compounds and its salt of one class containing niacinamide building block 烟台大学 2017-06-16 CN disclosed
CN-104045598-B Thiourea compounds containing arylamine structure, and preparation method and application thereof 烟台大学 2017-02-15 CN disclosed
CN-104892529-A Thiourea compound containing quinazoline structure as well as preparation method and application of thiourea compound UNIV YANTAI 2015-09-09 CN disclosed
CN-104710355-A Preparation method and application of diphenyl thiourea compound containing niacinamide building blocks and salt of diphenyl thiourea compound UNIV YANTAI 2015-06-17 CN disclosed
CN-104045598-A Thiourea compounds containing arylamine structure, and preparation method and application thereof UNIV YANTAI 2014-09-17 CN disclosed
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
EP-1608369-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-06-26 EP disclosed
EP-2258365-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-05-29 EP disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
EP-1618127-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
EP-1608369-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2005-12-28 EP disclosed
US-20050136065-A1 Use of small molecule compounds for immunopotentiation CHIRON CORPORATION (US) 2005-06-23 US disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2004092360-A2 THE SEVERE ACUTE RESPIRATORY SYNDROME CORONAVIRUS CHIRON CORPORATION (US) 2004-10-28 WO disclosed
WO-2004087153-A2 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION CHIRON CORPORATION (US) 2004-10-14 WO disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 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 (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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HSD11B1 2525/4885KCNN4 4297/4885AR 2574/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF HSD11B1 2200/4885KCNN4 4024/4885AR 2123/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF HSD11B1 2525/4885KCNN4 4297/4885AR 2574/4885
US-20050136065-A1 Use of small molecule compounds for immunopotentiation ICOS, CD14, LCP2 HSD11B1 3535/4885KCNN4 3678/4885AR 3257/4885

“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.