SCHEMBL9682529

SCHEMBL9682529

COC(=O)c1ccn(-c2ccc(C)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
KMT2A Q03164 2/20 0.67
POLB P06746 1/20 0.67
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GAA P10253 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
UBE2N P61088 1/20 0.43
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL16322812 0.86 MAPT (0.54) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL13832650 0.85 GAA (0.66) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL26970951 0.84 GAA (0.49) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL6003820 0.83 ALDH1A1 (0.48) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL3854589 0.82 KMT2A (0.56) ALDH1A1KMT2APOLBKDM4EGAA
SCHEMBL2219110 0.82 KDM4E (0.49) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL30078274 0.80 ALDH1A1 (0.50) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL31264133 0.78 POLB (0.46) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL21840502 0.78 IRAK4 (0.46) ALDH1A1KMT2APOLBKDM4EL3MBTL1
SCHEMBL25703615 0.78 IRAK4 (0.46) ALDH1A1KMT2APOLBKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334317-B2 Calcium receptor modulating agents AMGEN INC. (US) 2012-12-18 US disclosed
US-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS AMGEN INC. 2011-07-21 US disclosed
US-5082949-A Plant growth regulators, protective agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-01-21 US disclosed
US-4891057-A Phenylpyrazolecarboxylic acid derivatives, their preparation, and their use as plant-growth regulators and safeners HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-02 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-20110178133-A1 CALCIUM RECEPTOR MODULATING AGENTS CASR, CALCR, RYR1 ALDH1A1 3977/4885KMT2A 4757/4885POLB 4841/4885

“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.