SCHEMBL17670347

SCHEMBL17670347

CCn1cnc2cc(Cn3cnnc3CNCc3cc(C(=O)O)cc(C)n3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.39
▸ RAB9A P51151 8/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ TP53 P04637 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PPARG P37231 3/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ GFER P55789 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17670361 0.74 P2RY14 (0.39) —
SCHEMBL17545039 0.74 EHMT2 (0.36) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17670362 0.72 YTHDC1 (0.34) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL17545011 0.72 MMP13 (0.37) —
SCHEMBL17670332 0.71 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL17683817 0.71 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL17670506 0.71 KDM4C (0.40) ALDH1A1KMT2AMEN1HDAC1
SCHEMBL17549883 0.69 HSP90AA1 (0.44) RAB9ATP53LMNA
SCHEMBL17670471 0.69 P2RY14 (0.38) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17544535 0.68 PDE6D (0.42) RAB9ATP53PPARG

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-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — US disclosed
US-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES EPITHERAPEUTICS APS 2016-04-14 — — 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-20160102096-A1 COMPOUNDS AND METHODS FOR INHIBITING HISTONE DEMETHYLASES PHF8, KDM3A, PHF2 NPC1 3942/4885RAB9A 758/4885KDM4E 8/4885

“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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