SCHEMBL3343074

SCHEMBL3343074

Cc1cc(-c2ccc(C)c(N)c2)n(CCO)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
NCOR2 Q9Y618 3/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3343071 0.81 HDAC3 (0.39) GAAALDH1A1HDAC3HDAC4HDAC1
SCHEMBL3347978 0.79 RAB9A (0.42) ALDH1A1KDM4ESMN1; SMN2TSHRRAB9A
SCHEMBL3489559 0.78 HDAC3 (0.54) GAAHDAC3HDAC4HDAC1HDAC7
SCHEMBL2614654 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRRAB9A
SCHEMBL3343791 0.74 SMN1; SMN2 (0.41) ALDH1A1KDM4ESMN1; SMN2TSHRRAB9A
SCHEMBL3343246 0.74 MEN1 (0.48) ALDH1A1KDM4ESMN1; SMN2TSHRHSD17B10
SCHEMBL3342753 0.72 HDAC3 (0.44) GAAALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL7113136 0.71 POLB (0.50) GAAALDH1A1KDM4EPOLB
SCHEMBL3343192 0.70 P2RX7 (0.47) ALDH1A1KDM4ESMN1; SMN2TSHRRAB9A
SCHEMBL3489229 0.70 HDAC6 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS ROCHE PALO ALTO LLC 2010-06-24 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-20100160384-A1 DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS P2RY1, P2RX6, P2RX3 GAA 3977/4885ALDH1A1 1506/4885KDM4E 2591/4885

“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.