SCHEMBL3076290

SCHEMBL3076290

OCc1csc(-c2cccs2)n1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 17/20 0.58
RAB9A P51151 7/20 0.58
LMNA P02545 2/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 1/20 0.58
HPGD P15428 1/20 0.58
CASP3 P42574 1/20 0.58
KMT2A Q03164 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 6/20 0.57
PKM P14618 1/20 0.57
SLC6A3 Q01959 1/20 0.52
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.48

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
SCHEMBL1486860 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL759745 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL203020 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL2756169 0.82 KDM4E (0.58) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL91386 0.82 KDM4E (0.62) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL12923050 0.79 KDM4E (0.59) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL17232429 0.78 RAB9A (0.65) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL17809500 0.78 KDM4E (0.55) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL12895701 0.78 KDM4E (0.55) KDM4ERAB9ALMNAMAPTMEN1
SCHEMBL20322400 0.78 KDM4E (0.66) KDM4ERAB9ALMNAMAPTMEN1

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
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 US disclosed
EP-1270571-B1 Heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL (JP) 2006-09-06 EP disclosed
EP-1100762-B1 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON SPA (IT) 2004-03-10 EP disclosed
EP-1270571-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 EP disclosed
US-6468979-B1 ERYTHROMYCIN DERIVATIVES WITH BIHETEROCYCLIC GROUP AS SUBSTITUENT AT END OF CHAIN HAVE PARTICULARLY BROAD SPECTRUM OF ACTIVITY AND LONG DURATION OF ACTION ZAMBON GROUP S.P.A. (IT) 2002-10-22 US disclosed
CN-1349990-A Heterocyclic compound, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-22 CN disclosed
CN-1077107-C Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-02 CN disclosed
EP-1100762-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.p.A. (IT) 2001-05-23 EP disclosed
US-6211215-B1 AROMATIC HETEROCYCLIC COMPOUND WITH AZOLE COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-03 US disclosed
WO-2000006606-A2 ERYTHROMYCIN DERIVATIVES WITH ANTIBIOTIC ACTIVITY ZAMBON GROUP S.P.A. (IT) 2000-02-10 WO disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 CN disclosed
EP-0912562-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1999-05-06 EP disclosed
WO-1998003505-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-29 WO 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 KDM4E 1414/4885RAB9A 3991/4885LMNA 4608/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 KDM4E 1440/4885RAB9A 4009/4885LMNA 4607/4885

“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.