SCHEMBL14867646

SCHEMBL14867646

Cc1ccc(C(=O)NC(C)(C)C)cc1C

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GAA P10253 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
HTT P42858 1/20 0.47
IMPDH2 P12268 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL13240435 0.84 CHRNA1 (0.59) KMT2AMEN1MAPTPOLBNPC1
SCHEMBL13701820 0.84 MTOR (0.50) KMT2AALDH1A1MAPTPOLBHDAC1
SCHEMBL9301153 0.84 CHRNA1 (0.59) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL6955587 0.81 MAPT (0.43) KMT2AALDH1A1MEN1MAPTPOLB
SCHEMBL6997419 0.81 TAS1R3 (0.52) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL17865779 0.81 LMNA (0.58) SMN1; SMN2MAPTPOLBHDAC1HTT
SCHEMBL22099996 0.80 S1PR3 (0.54)
SCHEMBL28869687 0.78 HDAC6 (0.69) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL4141704 0.78 KMT2A (0.56) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL2264435 0.78 ALDH1A1 (0.61) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT

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-20130096119-A1 Isoquinolin-3-Ylurea Derivatives BUR DANIEL (CH) 2013-04-18 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-20130096119-A1 Isoquinolin-3-Ylurea Derivatives CLIC1, IRF3, KCNH3 KMT2A 2761/4885SMN1; SMN2 4732/4885ALDH1A1 944/4885

“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.