SCHEMBL1061973

SCHEMBL1061973

CCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
LMNA P02545 3/20 1.00
ALDH1A1 P00352 7/20 0.93
HTT P42858 2/20 0.91
L3MBTL1 Q9Y468 1/20 0.71
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
HPGD P15428 2/20 0.64
POLB P06746 1/20 0.64
RECQL P46063 1/20 0.63
USP2 O75604 1/20 0.62

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
SCHEMBL8361521 0.95 ALDH1A1 (1.00) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL8357959 0.95 ALDH1A1 (1.00) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL38660347 0.93 KDM4E (0.86) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL2383886 0.87 KDM4E (1.00) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL1056609 0.87 L3MBTL1 (0.93) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL27854528 0.85 MEN1 (0.74) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL11386492 0.84 KDM4E (0.72) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL30099678 0.83 ALDH1A1 (1.00) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL1061607 0.83 ALDH1A1 (1.00) KDM4ELMNAALDH1A1HTTMEN1
SCHEMBL5308778 0.83 KDM4E (0.77) KDM4ELMNAALDH1A1HTTL3MBTL1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 WO disclosed
EP-0458636-B1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1995-07-12 EP disclosed
US-5248684-A CERTAIN 2-OXO-QUINOLINE CARBOXYLATES OR CORRESPONDING CARBOXAMIDES USEFUL AS ANTI-EMETICS AND SUPPRESSANTS OF MIGRAINE KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-09-28 US disclosed
EP-0458636-A1 Antiemetic and migraine suppressing heterocyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1991-11-27 EP disclosed
US-4273930-A INTERMEDIATES FOR THE 4-ALKOXY ANTIALLERGENS SANDOZ, INC. (US) 1981-06-16 US disclosed
US-4190659-A ANTIALLERGENS, ANTIHISTAMINES SANDOZ, INC. (US) 1980-02-26 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 (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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 528/4885LMNA 4534/4885ALDH1A1 745/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885LMNA 4392/4885ALDH1A1 776/4885

“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.