SCHEMBL940820

SCHEMBL940820

CCCC/C(C)=N/NC(N)=S

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL17666960 1.00 ALDH1A1 (0.49) ALDH1A1CCR6NPSR1
SCHEMBL940821 1.00 ALDH1A1 (0.49) ALDH1A1CCR6NPSR1
SCHEMBL14410463 0.92 ALDH1A1 (0.46) ALDH1A1CCR6NPSR1
SCHEMBL11672138 0.88 ALDH1A1 (0.56) ALDH1A1CCR6NPSR1
SCHEMBL17666873 0.88 ALDH1A1 (0.56) ALDH1A1CCR6NPSR1
SCHEMBL17988120 0.85 ALDH1A1 (0.56) ALDH1A1CCR6NPSR1
SCHEMBL942350 0.82 ALDH1A1 (0.42) ALDH1A1
SCHEMBL18725156 0.80 MEN1 (0.44) ALDH1A1
SCHEMBL5564609 0.79
SCHEMBL5564613 0.79

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 16 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-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
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
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
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 (6 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 343/4885CCR6 2059/4885NPSR1 3376/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885CCR6 3782/4885NPSR1 4589/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ALDH1A1 343/4885CCR6 2059/4885NPSR1 3376/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885CCR6 3782/4885NPSR1 4589/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 ALDH1A1 343/4885CCR6 2059/4885NPSR1 3376/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ALDH1A1 2889/4885CCR6 3782/4885NPSR1 4589/4885

“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.