SCHEMBL2992178

SCHEMBL2992178

CC(C)(C)CC(C)(C)Nc1c(-c2ccc(O)cc2)nc2ccccn12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1B P35368 1/20 0.60
TOP2A P11388 1/20 0.57
MAPT P10636 4/20 0.55
POLB P06746 2/20 0.55
TP53 P04637 2/20 0.55
IDO1 P14902 1/20 0.55
ALDH1A1 P00352 7/20 0.54
GAA P10253 5/20 0.54
KDM4E B2RXH2 5/20 0.54
HPGD P15428 5/20 0.54
HSD17B10 Q99714 3/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 1/20 0.54
CASP3 P42574 1/20 0.54
RAB9A P51151 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
RCE1 Q9Y256 1/20 0.54
MEN1 O00255 2/20 0.52

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
SCHEMBL998603 0.90 ADRA1B (0.73) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL997791 0.88 MAPT (0.70) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL1966640 0.86 TUBB4A (0.64) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL2985509 0.83 ADRA1B (0.50) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL4487879 0.82 ADRA1B (0.55) ADRA1BTOP2AMAPTPOLBTP53
Hydrochloric Acid SCHEMBL4496609 0.81 ADRA1B (0.54) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL997742 0.81 GAA (0.59) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL4491189 0.81 GAA (0.59) ADRA1BTOP2AMAPTPOLBTP53
Hydrochloric Acid SCHEMBL4494976 0.81 GAA (0.58) ADRA1BTOP2AMAPTPOLBTP53
SCHEMBL25416714 0.79 ADRA1B (0.91) ADRA1BTOP2AMAPTIDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US claimed
US-20100173930-A1 Certain Chemical Entities, Compositions and Methods CYTOKINETICS, INC. 2010-07-08 US disclosed
WO-2008016648-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO 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-20100173930-A1 Certain Chemical Entities, Compositions and Methods TNNC1, TNNI3, TNNT2 ADRA1B 956/4885TOP2A 1148/4885MAPT 218/4885

“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.