SCHEMBL941840

SCHEMBL941840

CC(=NNC(N)=S)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.62
METTL3 Q86U44 1/20 0.62
LMNA P02545 1/20 0.56
ALPL P05186 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KDM1A O60341 1/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL30523857 1.00 ATM (0.62) ATMMETTL3LMNAALPLNFKB1
SCHEMBL5528604 1.00 ATM (0.62) ATMMETTL3LMNAALPLNFKB1
SCHEMBL6742383 0.83 KDM4E (0.55) LMNAALPLNFKB1NFKB2RELA
SCHEMBL15677687 0.81 NPSR1 (0.63) LMNAALPLNFKB1NFKB2RELA
SCHEMBL940551 0.81 CTSL (0.60) ATMMETTL3LMNANPC1KMT2A
SCHEMBL941479 0.81 ATM (0.60) ATMMETTL3MEN1NPC1KMT2A
Hydrochloric Acid SCHEMBL6742948 0.81 KDM4E (0.54) LMNAALPLNFKB1NFKB2RELA
SCHEMBL941415 0.81 ALDH1A1 (0.71) ATMMETTL3
SCHEMBL29430148 0.81 CA1 (0.50) ATMMETTL3LMNAKDM4EKMT2A
SCHEMBL15677694 0.80 LMNA (0.53) LMNAALPLNFKB1NFKB2RELA

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 21 patents — showing the first 20. 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
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-20070197495-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-08-23 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
EP-1734939-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE The Regents of The University of California (US) 2006-12-27 EP 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
WO-2005087211-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-09-22 WO 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 (8 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 ATM 516/4885METTL3 2876/4885LMNA 3970/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B ATM 648/4885METTL3 4203/4885LMNA 3410/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 ATM 516/4885METTL3 2876/4885LMNA 3970/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ATM 648/4885METTL3 4203/4885LMNA 3410/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 ATM 651/4885METTL3 2787/4885LMNA 3742/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 ATM 516/4885METTL3 2876/4885LMNA 3970/4885
US-20070197495-A1 ANTI-PARASITIC COMPOUNDS AND METHODS OF THEIR USE CYP51A1, TUBA3C, PIGO ATM 4843/4885METTL3 4301/4885LMNA 933/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B ATM 648/4885METTL3 4203/4885LMNA 3410/4885

“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.