SCHEMBL1062687

SCHEMBL1062687

CCC(C(=O)O)n1c(=O)c2c(OC)c(C(=O)N(C)CCN(CC)CC)sc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MITF O75030 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ UBE2N P61088 1/20 0.36
▸ TP53 P04637 6/20 0.35
▸ MAPT P10636 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34

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
SCHEMBL10314290 0.85 KMT2A (0.47) RXFP1NPSR1KMT2ATP53MAPT
SCHEMBL1060995 0.83 RXFP1 (0.42) RXFP1NPSR1KMT2APOLBMITF
SCHEMBL12932764 0.82 RXFP1 (0.41) RXFP1NPSR1KMT2APOLBMITF
SCHEMBL1062384 0.82 ADORA2B (0.42) RXFP1NPSR1KMT2APOLBMITF
SCHEMBL10314315 0.82 PGR (0.42) RXFP1NPSR1KMT2APOLBMITF
SCHEMBL10314203 0.81 SMN1; SMN2 (0.43) RXFP1NPSR1KMT2AMITFMEN1
Trifluoroacetic Acid SCHEMBL1063966 0.81 KMT2A (0.43) RXFP1NPSR1KMT2APOLBTP53
Hydrochloric Acid SCHEMBL1064006 0.81 SMN1; SMN2 (0.43) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL1063589 0.80 SMN1; SMN2 (0.41) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL1057152 0.80 RXFP1 (0.39) RXFP1NPSR1KMT2APOLBMITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 — — US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 — — 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 (1 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 RXFP1 277/4885NPSR1 423/4885KMT2A 453/4885

“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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