SCHEMBL12464694

SCHEMBL12464694

CCN1CCC(NC(C)(C)CC)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
RECQL P46063 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.33
UBE2M P61081 1/20 0.33
DCUN1D1 Q96GG9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL10245264 0.83 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2EPHX1EPHX2RECQL
SCHEMBL21214073 0.82 GNAI3 (0.40)
SCHEMBL21790808 0.78 POLB (0.40) KDM4EPOLB
SCHEMBL21283140 0.76 POLB (0.35) EPHX1RECQLPOLB
SCHEMBL7778206 0.76 POLB (0.38) KDM4EEPHX1RECQLMEN1KMT2A
SCHEMBL20812779 0.76 HRH3 (0.33)
SCHEMBL25105680 0.74 HRH4 (0.37) POLB
SCHEMBL25105683 0.74 HRH4 (0.37) POLB
SCHEMBL12429345 0.74 HRH4 (0.37) POLB
SCHEMBL25530766 0.74 POLB (0.37) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B KDM4E 1673/4885SMN1; SMN2 2262/4885EPHX1 1663/4885

“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.