SCHEMBL12877362

SCHEMBL12877362

CCn1ccc(=O)c2cc(F)c(N3CCN(C(=S)Nc4ccc5c(c4)OCO5)CC3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 13/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.51
▸ LMNA P02545 6/20 0.51
▸ HPGD P15428 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ USP2 O75604 2/20 0.51
▸ HTT P42858 4/20 0.49
▸ POLB P06746 2/20 0.49
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ PDGFRB P09619 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MAPK1 P28482 1/20 0.43

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
SCHEMBL1200120 0.85 KDM4E (0.74) KDM4EKMT2ATDP1ATMALDH1A1
SCHEMBL29053157 0.77 HSD17B10 (0.53) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL30570719 0.77 HSD17B10 (0.53) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL4241160 0.74 DRD3 (0.60) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL7263223 0.74 HSD17B10 (0.51) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL15281352 0.73 KDM4E (0.62) KDM4EKMT2ATDP1ATMALDH1A1
SCHEMBL7262142 0.71 HSD17B10 (0.61) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL30539981 0.71 HSD17B10 (0.61) KDM4EKMT2AALDH1A1LMNAHPGD
SCHEMBL12877366 0.70 KDM4E (0.57) KDM4EKMT2ATDP1ATMALDH1A1
SCHEMBL7294536 0.70 ALDH1A1 (0.54) KDM4EKMT2ATDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046142-A1 ANTIBIOTIC COMPOUNDS NORTHEASTERN UNIVERSITY (US) 2011-02-24 — — 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-20110046142-A1 ANTIBIOTIC COMPOUNDS AADAC, SPOUT1, NRDC KDM4E 2212/4885KMT2A 3535/4885TDP1 2936/4885

“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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