SCHEMBL10314432

SCHEMBL10314432

CCCCn1c(=O)c2c(OCCOCC)c(C(=O)NCCCN(C)C)sc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.47
MITF O75030 1/20 0.44
TP53 P04637 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 4/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
UBE2N P61088 1/20 0.41
POLB P06746 2/20 0.39
HPGD P15428 1/20 0.39
ACKR3 P25106 1/20 0.39
LMNA P02545 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL1061101 0.95 RAB9A (0.47) RAB9AMITFTP53SMN1; SMN2KDM4E
SCHEMBL1063542 0.94 RAB9A (0.51) RAB9AMITFTP53SMN1; SMN2KDM4E
SCHEMBL10314433 0.91 KMT2A (0.49) RAB9AMITFTP53KDM4ECYP1A2
SCHEMBL10314425 0.90 KDM4E (0.48) RAB9ATP53SMN1; SMN2KDM4ECYP1A2
SCHEMBL10314435 0.89 RAB9A (0.44) RAB9AMITFTP53KDM4ETHRB
SCHEMBL10314444 0.89 RAB9A (0.47) RAB9AMITFTP53SMN1; SMN2KDM4E
SCHEMBL1064450 0.88 KMT2A (0.55) RAB9ATP53KDM4ETHRBKMT2A
SCHEMBL1063014 0.87 RAB9A (0.45) RAB9ASMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL10314358 0.86 KDM4E (0.50) MITFTP53SMN1; SMN2KDM4ECYP1A2
Trifluoroacetic Acid SCHEMBL1061047 0.86 KMT2A (0.47) RAB9AMITFTP53SMN1; SMN2KDM4E

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 10 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
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-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

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 RAB9A 2056/4885MITF 1643/4885TP53 3556/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 RAB9A 2411/4885MITF 1595/4885TP53 3584/4885

“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.