SCHEMBL941085

SCHEMBL941085

NC(=S)NN=C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
LMNA P02545 2/20 0.55
MEN1 O00255 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 9/20 0.49
GAA P10253 5/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL27943531 1.00 KMT2A (0.55) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL4100479 0.98 KMT2A (0.52) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL3070506 0.79 KDM4E (0.44) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL3070503 0.79 KDM4E (0.44) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL3776494 0.78 MEN1 (0.41) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL27480008 0.77 KMT2A (0.46) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL9356896 0.77 KDM4E (0.52) KMT2AMEN1ALDH1A1GAARAB9A
Hydrochloric Acid SCHEMBL8434379 0.76 KMT2A (0.44) KMT2ALMNAMEN1NPSR1ALDH1A1
SCHEMBL9356593 0.74 KDM4E (0.48) KMT2AMEN1ALDH1A1RAB9AMAPT
SCHEMBL9130522 0.72 KDM4E (0.39) KMT2ALMNAMEN1NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3006496-B1 TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR BRIDGESTONE CORP (JP) 2017-07-19 EP claimed
EP-3006496-B1 TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR BRIDGESTONE CORP (JP) 2017-07-19 EP disclosed
US-20160115296-A1 TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR BRIDGESTONE CORPORATION (JP) 2016-04-28 US disclosed
EP-3006496-A1 TIRE RUBBER COMPOSITION AND MANUFACTURING METHOD THEREFOR Bridgestone Corporation (JP) 2016-04-13 EP disclosed
EP-2258365-B1 USE OF ORGANIC COMPOUNDS FOR IMMUNOPOTENTIATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2013-05-29 EP 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-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
US-4035244-A Electric recording process MITA INDUSTRIAL COMPANY LIMITED (JA) 1977-07-12 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 (5 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 KMT2A 558/4885LMNA 3970/4885MEN1 2153/4885
US-20070155804-A1 Mitotic kinesin inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885LMNA 3410/4885MEN1 3155/4885
US-20070213380-A1 Thiadiazoline derivative BRWD1, RB1, ARG2 KMT2A 558/4885LMNA 3970/4885MEN1 2153/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 KMT2A 558/4885LMNA 3970/4885MEN1 2153/4885
US-20110275827-A1 Mitotic Kinesin Inhibitor KIF15, KIF5A, KIF5B KMT2A 514/4885LMNA 3410/4885MEN1 3155/4885

“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.