SCHEMBL16098301

SCHEMBL16098301

COc1ccc(Cn2cnc3c(ccc4[nH]c5ccccc5c43)c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.57
▸ KDM4E B2RXH2 10/20 0.53
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HSD17B10 Q99714 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MMP13 P45452 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 2/20 0.43
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL16625980 0.82 MEN1 (0.53) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL16131457 0.78 KDM4E (0.43) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL16099188 0.77 KDM4E (0.50) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL30835647 0.77 KDM4E (0.51) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL16131528 0.76 MEN1 (0.51) POLBMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL32691295 0.76 MMP13 (0.52) POLBKDM4EMEN1KMT2AHSD17B10
SCHEMBL16131524 0.75 KDM4E (0.51) POLBKDM4EHSD17B10ALDH1A1PKM
SCHEMBL16098110 0.75 KDM4E (0.50) POLBKDM4EHSD17B10ALDH1A1PKM
SCHEMBL16098599 0.71 DCTPP1 (0.48) POLBKDM4EKMT2AHPGDMAPT
SCHEMBL16131495 0.69 MEN1 (0.56) POLBKDM4EMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 — — US disclosed
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 — — US disclosed
US-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS PANACELA LABS, INC. 2016-12-22 — — US disclosed
WO-2014153055-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — WO disclosed
WO-2014153055-A2 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 — — 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 (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-20160368872-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS KLK3, AR, BRDT POLB 3014/4885KDM4E 971/4885MEN1 2716/4885

“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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