SCHEMBL10314311

SCHEMBL10314311

CCCCn1c(=O)c2c(OC)c(C(=O)NC3CCN(Cc4ccccc4)CC3)sc2c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ UBE2N P61088 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ SLC6A12 P48065 1/20 0.49
▸ MCHR1 Q99705 1/20 0.49

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 SCHEMBL1059876 0.96 UBE2N (0.46) TP53MEN1UBE2NKMT2ALMNA
SCHEMBL10314310 0.95 DRD4 (0.51) TP53MEN1UBE2NKMT2ALMNA
Trifluoroacetic Acid SCHEMBL1061267 0.91 DRD4 (0.48) TP53MEN1UBE2NKMT2ALMNA
SCHEMBL10314286 0.90 SIGMAR1 (0.54) TP53SIGMAR1THRBSLC6A12MCHR1
SCHEMBL1061621 0.90 CNR2 (0.50) TP53MEN1KMT2A
SCHEMBL1060900 0.90 SMN1; SMN2 (0.55) TP53SIGMAR1THRBSLC6A12MCHR1
SCHEMBL12932875 0.89 TP53 (0.61) TP53KMT2ASIGMAR1THRBSLC6A12
SCHEMBL10314199 0.88 TP53 (0.51) TP53SIGMAR1THRBSLC6A12MCHR1
SCHEMBL10314334 0.86 SIGMAR1 (0.49) TP53SIGMAR1THRBSLC6A12MCHR1
Trifluoroacetic Acid SCHEMBL1062029 0.86 SIGMAR1 (0.50) TP53SIGMAR1THRBSLC6A12MCHR1

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 TP53 3556/4885MEN1 1922/4885UBE2N 3004/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 TP53 3584/4885MEN1 2094/4885UBE2N 2401/4885

“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.

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