SCHEMBL940532

SCHEMBL940532

COc1cccc(C(C)=NNC(N)=S)c1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
GAA P10253 1/20 0.67
CTSL P07711 2/20 0.65
ALOX12 P18054 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
ATM Q13315 1/20 0.62
METTL3 Q86U44 1/20 0.62
CTSK P43235 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59

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
SCHEMBL5529220 0.86 ATM (0.68) ALDH1A1CTSLATMMETTL3CTSK
SCHEMBL5529222 0.86 ATM (0.68) ALDH1A1CTSLATMMETTL3CTSK
SCHEMBL21086320 0.83 CTSK (0.58) ALDH1A1GAACTSLALOX12NPSR1
SCHEMBL942179 0.81 METTL3 (0.66) CTSLATMMETTL3CTSK
SCHEMBL13954747 0.80 CTSL (0.70) ALDH1A1GAACTSLATMMETTL3
SCHEMBL5522782 0.80 CTSL (0.70) ALDH1A1GAACTSLATMMETTL3
SCHEMBL940737 0.80 CTSL (0.70) ALDH1A1GAACTSLATMMETTL3
SCHEMBL5519818 0.80 CTSL (0.70) ALDH1A1GAACTSLATMMETTL3
SCHEMBL17527524 0.80 CTSL (0.70) ALDH1A1GAACTSLATMMETTL3
SCHEMBL5522779 0.80 CTSL (0.70) ALDH1A1GAACTSLATMMETTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318782-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-27 US disclosed
US-20110275827-A1 Mitotic Kinesin Inhibitor FUJIFILM CORPORATION (JP) 2011-11-10 US disclosed
EP-1454903-B9 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2011-10-05 EP disclosed
EP-2327702-A1 Mitotic kinesin inhibitor Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-7902234-B2 Thiadiazoline derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-03-08 US disclosed
US-20110004000-A1 Mitotic Kinesin Inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-01-06 US disclosed
US-7851635-B2 Mitotic kinesin inhibitor KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-12-14 US disclosed
US-20100240716-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-09-23 US disclosed
EP-1454903-B1 Thiadiazoline derivatives for treating cancer KYOWA HAKKO KIRIN CO LTD (JP) 2010-09-08 EP disclosed
US-7759371-B2 Thiadiazoline derivative Kyowa Hakko Kinn Co., Ltd. (JP) 2010-07-20 US disclosed
CN-100484928-C thiadiazoline derivatives KYOWA HAKKO KOGYO KK FUJI PHOT (JP) 2009-05-06 CN disclosed
US-7425636-B2 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-09-16 US disclosed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US disclosed
EP-1847534-A2 Thiadiazoline derivative Kyowa Hakko Kogyo Co., Ltd (JP) 2007-10-24 EP disclosed
US-20070213380-A1 Thiadiazoline derivative KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-09-13 US disclosed
US-20070155804-A1 Mitotic kinesin inhibitor KYOWA HAKKO KOGYO CO., LTD. OF TOKYO, JAPAN FUJI PHOTO FILM CO., LTD. KANAGAWA, JAPAN 2007-07-05 US disclosed
US-20060074113-A1 Thiadiazoline derivative KYOWA KIRIN CO., LTD. (JP) 2006-04-06 US disclosed
EP-1616866-A1 M-STAGE KINESIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-01-18 EP disclosed
CN-1617864-A thiadiazoline derivatives KYOWA HAKKO KOGYO KK (JP) 2005-05-18 CN disclosed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP 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 (7 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-20060074113-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ALDH1A1 343/4885GAA 4130/4885CTSL 4237/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885GAA 1882/4885CTSL 4128/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ALDH1A1 343/4885GAA 4130/4885CTSL 4237/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885GAA 1882/4885CTSL 4128/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 ALDH1A1 459/4885GAA 3801/4885CTSL 4395/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 ALDH1A1 343/4885GAA 4130/4885CTSL 4237/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885GAA 1882/4885CTSL 4128/4885

“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.