SCHEMBL30116136

SCHEMBL30116136

Cc1cc(-c2cc(C)c3ccccc3n2)ccc1NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
ACACB O00763 5/20 0.46
BRD9 Q9H8M2 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.44
ACACA Q13085 3/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL20671101 1.00 MEN1 (0.46) MEN1KMT2ANPC1GAARAB9A
SCHEMBL20660807 0.86 ALDH1A1 (0.52) MEN1KMT2ANPC1GAARAB9A
SCHEMBL15919362 0.79 ACP1 (0.56) MEN1KMT2ANPC1GAARAB9A
SCHEMBL20671036 0.77 CYP17A1 (0.41) NPC1RAB9ABRD9MAPTSMN1; SMN2
SCHEMBL30116164 0.77 CYP17A1 (0.41) NPC1RAB9ABRD9MAPTSMN1; SMN2
SCHEMBL20671014 0.76 CYP17A1 (0.41) BRD9MAPTDHODHLCK
SCHEMBL30116155 0.76 CYP17A1 (0.41) BRD9MAPTDHODHLCK
SCHEMBL3924829 0.76 HTT (0.75) MEN1KMT2ANPC1GAARAB9A
SCHEMBL20671010 0.76 AAK1 (0.43) BRD9MAPTSMN1; SMN2LCK
SCHEMBL30116113 0.76 AAK1 (0.43) BRD9MAPTSMN1; SMN2LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548867-B2 Amido compounds as AhR modulators IDEA YA BIOSCIENCES, INC. (US) 2023-01-10 US disclosed
US-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-10-27 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 (2 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-20220340875-A1 METHODS OF CULTURING AND/OR EXPANDING STEM CELLS AND/OR LINEAGE COMMITTED PROGENITOR CELLS USING AMIDO COMPOUNDS AHR, MCL1, ARNT MEN1 3244/4885KMT2A 373/4885NPC1 2588/4885
US-11548867-B2 Amido compounds as AhR modulators AHR, ARNT, RXRB MEN1 4372/4885KMT2A 542/4885NPC1 1754/4885

“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.