SCHEMBL17670405

SCHEMBL17670405

O=C(O)c1cc(CO)nc(CNCc2nnc(-c3ccccc3)n2CCCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ ROCK2 O75116 4/20 0.38
▸ GRK2 P25098 4/20 0.38
▸ PRKCA P17252 3/20 0.38
▸ GRK5 P34947 1/20 0.37
▸ GRK3 P35626 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TSSK1B Q9BXA7 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ ADAMTS5 Q9UNA0 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ CASR P41180 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ VCP P55072 1/20 0.34

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
SCHEMBL17545158 0.90 EHMT2 (0.40) EHMT2EHMT1TSSK1BHDAC1HDAC8
SCHEMBL17544811 0.89 EHMT2 (0.41) EHMT2EHMT1SMN1; SMN2TSSK1BHDAC1
SCHEMBL17670431 0.88 USP2 (0.39) EHMT2EHMT1NPC1SMN1; SMN2MAPT
SCHEMBL17683750 0.83 EHMT2 (0.39) EHMT2EHMT1
SCHEMBL17544666 0.81 EHMT2 (0.44) EHMT2EHMT1HDAC1HDAC8
SCHEMBL17545013 0.81 EHMT2 (0.37) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17670429 0.81 EHMT2 (0.41) EHMT2EHMT1ROCK2GRK2PRKCA
SCHEMBL17544728 0.80 EHMT2 (0.44) EHMT2EHMT1HDAC1HDAC8HDAC6
SCHEMBL17544930 0.74 GRIN2D (0.32) —
SCHEMBL17544969 0.74 GRIN2D (0.32) —

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 EHMT2 31/4885EHMT1 26/4885ROCK2 1297/4885

“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.

Send feedback