SCHEMBL14090418

SCHEMBL14090418

COc1ncccc1-c1ccc(O)c(-c2nc3cc(C(=O)Nc4ccc(CC(=O)N5CCN(C)CC5)cc4)ccc3[nH]2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ HPSE Q9Y251 9/20 0.41
▸ TBK1 Q9UHD2 3/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ DDR2 Q16832 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37

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
SCHEMBL14090416 0.91 DDR2 (0.49) HPSETBK1DDR2HDAC3HDAC1
SCHEMBL14090443 0.89 ABCB1 (0.43) HPSEADORA2AABCB1ABCG2DDR2
SCHEMBL14090417 0.88 NPC1 (0.46) HPSEADORA2AALDH1A1SMN1; SMN2
SCHEMBL14090439 0.88 HPSE (0.41) HPSEADORA2AABCB1ABCG2DDR2
SCHEMBL14090441 0.88 HPSE (0.45) HPSEADORA2AMAPTHDAC3HDAC1
SCHEMBL12833938 0.88 HPSE (0.45) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL14090602 0.87 SLC2A1 (0.43) HPSETBK1ADORA2AHDAC3HDAC1
SCHEMBL12834169 0.87 HPSE (0.48) HPSEADORA2AHDAC3HDAC1HDAC2
SCHEMBL14090420 0.86 L3MBTL1 (0.42) KDM1AMAOAMAOBHPSEADORA2A
SCHEMBL14091038 0.86 HPSE (0.43) HPSEADORA2AMAPTSMN1; SMN2HDAC3

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-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-8629147-B2 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2014-01-14 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — US disclosed
US-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-08-28 — — 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-20080207635-A1 Heterocyclic compounds useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders LCK, MALT1, MYD88 KDM1A 2188/4885MAOA 2120/4885MAOB 1805/4885

“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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