SCHEMBL6644996

SCHEMBL6644996

Cc1ccc2c(=O)[nH]c(N3CCN(CCO)CC3)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.49
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ APAF1 O14727 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ SRC P12931 1/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ P4HB P07237 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ERAP1 Q9NZ08 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
SCHEMBL6646891 0.90 KMT2A (0.47) AKR1C3RAB9AKMT2AMEN1APAF1
SCHEMBL6644383 0.84 APAF1 (0.48) RAB9AAPAF1CDC25BCASP3SENP8
SCHEMBL6648310 0.78 HTT (0.47) KMT2AMEN1APAF1CDC25BCASP3
SCHEMBL6646884 0.78 MAPT (0.40) AKR1C3KMT2AMEN1APAF1CDC25B
SCHEMBL6648114 0.74 APAF1 (0.48) RAB9AAPAF1CDC25BCASP3SENP8
SCHEMBL6646110 0.73 APAF1 (0.61) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646301 0.73 PARP1 (0.42) APAF1CDC25BCASP3SENP8SENP7
SCHEMBL6646122 0.72 APAF1 (0.59) KMT2AMEN1APAF1CDC25BCASP3
SCHEMBL6649052 0.71 APAF1 (0.65) KMT2AAPAF1CDC25BCASP3SENP8
SCHEMBL6645486 0.70 HRH4 (0.57) KMT2AMEN1APAF1CDC25BCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US claimed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP claimed
US-20040176361-A1 Fused heterocyclic compound and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-09-09 — — US disclosed
EP-1396488-A1 FUSED HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-03-10 — — EP 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-20040176361-A1 Fused heterocyclic compound and medicinal use thereof PARP11, PARP1, CD38 AKR1C3 360/4885RAB9A 916/4885KMT2A 1102/4885

“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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