SCHEMBL5457898

SCHEMBL5457898

Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.81
MAPT P10636 4/20 0.81
LMNA P02545 1/20 0.81
EPHX1 P07099 5/20 0.78
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
NPSR1 Q6W5P4 2/20 0.72
SMN1; SMN2 Q16637 3/20 0.70
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
CCR6 P51684 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68

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
SCHEMBL14860311 0.94 EPHX1 (0.78) ALDH1A1MAPTLMNAEPHX1NPC1
SCHEMBL3055480 0.91 ALDH1A1 (0.81) ALDH1A1MAPTLMNAEPHX1NPC1
SCHEMBL12767872 0.89 KMT2A (0.72) ALDH1A1MAPTLMNAEPHX1NPC1
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.88 EPHX1 (1.00) ALDH1A1EPHX1NPC1RAB9ANPSR1
SCHEMBL14096440 0.87 EPHX1 (0.78) ALDH1A1MAPTEPHX1NPC1RAB9A
SCHEMBL8616503 0.87 EPHX1 (0.83) ALDH1A1LMNAEPHX1NPC1RAB9A
SCHEMBL14096532 0.86 KMT2A (0.72) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL5713540 0.86 EPHX1 (0.71) ALDH1A1MAPTLMNAEPHX1NPC1
SCHEMBL31321777 0.85 ALDH1A1 (0.85) ALDH1A1EPHX1NPC1RAB9ANPSR1
SCHEMBL27451748 0.85 MIF (0.83) ALDH1A1EPHX1NPC1RAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536286-A1 INHIBITORS AND METHODS OF INHIBITING BACTERIAL AND VIRAL PATHOGENS Siga Technologies, Inc. (US) 2012-12-26 EP claimed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-100420678-C Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2008-09-24 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed
EP-1583752-B1 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-08-16 EP disclosed
US-7087761-B2 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-08 US disclosed
CN-1738808-A Cyclization process for substituted benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2006-02-22 CN disclosed
EP-1583752-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP disclosed
WO-2004060879-A2 CYCLIZATION PROCESS FOR SUBSTITUTED BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO disclosed
US-20040138465-A1 Cyclization process for substituted benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2004-07-15 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 (1 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-20040138465-A1 Cyclization process for substituted benzothiazole derivatives CBR3, CBR1, OXTR ALDH1A1 2709/4885MAPT 4736/4885LMNA 3836/4885

“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.