SCHEMBL13208488

SCHEMBL13208488

CCOC(=O)c1cc(C)nc(C(C)(C)C)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 3/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
THRB P10828 1/20 0.41
POLB P06746 3/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40
S1PR2 O95136 1/20 0.39
TSHR P16473 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
SCHEMBL2393871 0.86 CYP1A2 (0.47) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL12775479 0.83 KDM4E (0.46) ALDH1A1MEN1KMT2AMAPTMAPK1
SCHEMBL9423071 0.80 CYP1A2 (0.55) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL17595275 0.78 CYP1A2 (0.58) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL11642670 0.78 CYP1A2 (0.53) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL16506338 0.77 CYP1A2 (0.51) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL20579411 0.75 CYP1A2 (0.46) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL5010959 0.74 MAPT (0.58) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL12141972 0.74 CYP1A2 (0.49) CYP1A2ALDH1A1MEN1RAB9AKMT2A
SCHEMBL19530471 0.73 HTR2A (0.36) ALDH1A1MAPTSMN1; SMN2MAPK1KDM4E

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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES CHANG RONALD K 2010-08-05 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-20100197657-A1 2-ARYL OR HETEROARYL INDOLE DERIVATIVES ASIC1, ASIC3, TRPV1 CYP1A2 1795/4885ALDH1A1 2506/4885MEN1 3322/4885

“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.