SCHEMBL17106574

SCHEMBL17106574

COc1cc(C2(C#N)CCC2)c([N+](=O)[O-])cc1OCCCN1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 11/20 0.49
EHMT1 Q9H9B1 8/20 0.49
SPIN1 Q9Y657 2/20 0.49
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL21667955 0.89 EHMT2 (0.43) EHMT2EHMT1SPIN1ALDH1A1KDM4E
SCHEMBL17106567 0.88 EHMT2 (0.54) EHMT2EHMT1SPIN1ALDH1A1KDM4E
SCHEMBL17106565 0.88 EHMT2 (0.54) EHMT2EHMT1SPIN1ALDH1A1KDM4E
SCHEMBL17106556 0.87 MAPT (0.36) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL17106558 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL17106580 0.78 KMT2A (0.47) ALDH1A1MEN1KMT2A
SCHEMBL17106553 0.78 ALDH1A1 (0.47) EHMT2EHMT1SPIN1ALDH1A1KDM4E
SCHEMBL20303961 0.78 ALDH1A1 (0.53) EHMT2EHMT1SPIN1ALDH1A1KDM4E
SCHEMBL20028146 0.78 EHMT2 (0.55) EHMT2EHMT1SPIN1ALDH1A1KDM4E
SCHEMBL7838137 0.77 KDM4E (0.61) EHMT2EHMT1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9284272-B2 Inhibitors of histone methyltransferase G9a ABBVIE INC. (US) 2016-03-15 US disclosed
US-20150274660-A1 INHIBITORS OF HISTONE METHYLTRANSFERASE G9a ABBVIE INC. 2015-10-01 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-20150274660-A1 INHIBITORS OF HISTONE METHYLTRANSFERASE G9a EHMT1, EHMT2, EZH2 EHMT2 2/4885EHMT1 1/4885SPIN1 1994/4885

“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.