SCHEMBL12397642

SCHEMBL12397642

CCc1cccc2c(C(CCCC#N)c3ccc(C)cc3)c[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39
MGAM2 Q2M2H8 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
UBE2N P61088 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL12397631 0.94 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12397654 0.87 MGAM (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1422927 0.87 ALDH1A1 (0.35) GAAALDH1A1LMNAHTTUBE2N
SCHEMBL12397636 0.86 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12397681 0.85 MGAM (0.38) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12397672 0.85 DYRK1A (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1423311 0.84 MEN1 (0.40) GAAALDH1A1LMNAHTTUBE2N
SCHEMBL7939769 0.84 GAA (0.45) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1348193 0.83 MGAM (0.37) GAAMGAMSIMGAM2HDAC3
SCHEMBL1350279 0.83 MGAM (0.36) GAAMGAMSIMGAM2HDAC3

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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 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-20110183928-A1 3-Cyanoalkyl- and 3-hydroxyalkylindoles and use thereof HTR3C, HTR3A, ADRB3 GAA 1169/4885MGAM 1508/4885SI 369/4885

“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.