SCHEMBL1058142

SCHEMBL1058142

COc1ccc(Cn2c(=O)c3c(OC)c(C(=O)O)n(C)c3c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.54
▸ CCR2 P41597 1/20 0.52
▸ BLM P54132 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ EDNRB P24530 2/20 0.49
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ EDNRA P25101 1/20 0.48
▸ CHRM1 P11229 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL1061698 0.89 KMT2A (0.50) P2RX4BLMSMN1; SMN2TP53ALDH1A1
SCHEMBL10314593 0.83 P2RX4 (0.54) P2RX4BLMSMN1; SMN2ALDH1A1HDAC1
SCHEMBL10314502 0.82 HDAC1 (0.44) P2RX4BLMSMN1; SMN2ALDH1A1HDAC1
Hydrochloric Acid SCHEMBL1061359 0.82 HDAC1 (0.43) P2RX4BLMSMN1; SMN2ALDH1A1HDAC1
SCHEMBL1062493 0.81 FEN1 (0.51) P2RX4BLMSMN1; SMN2TP53ALDH1A1
SCHEMBL1062302 0.81 SMN1; SMN2 (0.53) CCR2BLMSMN1; SMN2ALDH1A1MEN1
SCHEMBL13740053 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1GAAKMT2ALMNA
SCHEMBL1061924 0.81 DRD4 (0.49) SMN1; SMN2TP53
SCHEMBL1062135 0.79 P2RX4 (0.54) P2RX4CCR2BLMSMN1; SMN2TP53
SCHEMBL10314592 0.78 P2RX4 (0.53) P2RX4BLMSMN1; SMN2ALDH1A1HDAC1

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 17 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-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
EP-2247588-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-11-10 — — EP 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
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
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 — — 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 P2RX4 2153/4885CCR2 1131/4885BLM 3886/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 P2RX4 2459/4885CCR2 1164/4885BLM 3924/4885

“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.

Send feedback