SCHEMBL942362

SCHEMBL942362

C/C(=N\NC(N)=S)c1ccc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 1.00
METTL3 Q86U44 2/20 0.56
ATM Q13315 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CTSL P07711 2/20 0.50

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
SCHEMBL940759 1.00 CYP1A2 (1.00) CYP1A2METTL3ATMNPC1RAB9A
SCHEMBL13561199 0.83 CYP1A2 (0.71) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL27596091 0.81 CYP1A2 (0.68) CYP1A2METTL3ATMSMN1; SMN2CTSL
SCHEMBL9656144 0.78 NPC1 (0.64) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL9656138 0.78 NPC1 (0.64) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL21994249 0.76 CYP1A2 (0.61) CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL23794042 0.72 METTL3 (0.82) METTL3ATM
SCHEMBL7099176 0.72
Acetophenone-Thiosemicarbazone SCHEMBL17666972 0.72 METTL3 (1.00) METTL3ATM
Phenyl(Methyl)Thiosemicarbazone SCHEMBL757506 0.72 METTL3 (1.00) METTL3ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
US-8507546-B2 Use of inhibitors of scavenger receptor class proteins for the treatment of infectious diseases INSTITUTO DE MEDICINA MOLECULAR, FACULDADE DE MEDICINA DA UNIVERSIDADE DE LISBOA (PT) 2013-08-13 US disclosed
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
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 US disclosed
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases CENIX BIOSCIENCE GMBH (DE) 2009-12-31 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 (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 CYP1A2 1617/4885METTL3 2876/4885ATM 516/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B CYP1A2 3886/4885METTL3 4203/4885ATM 648/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 CYP1A2 1617/4885METTL3 2876/4885ATM 516/4885
US-20090324580-A1 Use of Inhibitors of Scavenger Receptor Class Proteins for the Treatment of Infectious Diseases SCARB1, MSR1, HAVCR2 CYP1A2 1527/4885METTL3 4575/4885ATM 4407/4885
US-20110004000-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B CYP1A2 3886/4885METTL3 4203/4885ATM 648/4885
US-20100240716-A1 THIADIAZOLINE DERIVATIVE BRWD1, WDR82, RB1 CYP1A2 2038/4885METTL3 2787/4885ATM 651/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 CYP1A2 1617/4885METTL3 2876/4885ATM 516/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B CYP1A2 3886/4885METTL3 4203/4885ATM 648/4885

“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.