SCHEMBL10294641

SCHEMBL10294641

CC(C)C(=O)Nc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
MAPT P10636 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MLYCD O95822 1/20 0.53
MTNR1B P49286 3/20 0.52
HTT P42858 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX2 P34913 1/20 0.46

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
SCHEMBL17717879 0.87 HTT (0.49) KMT2AALDH1A1MEN1MAPTMTNR1B
SCHEMBL26137616 0.87 MLYCD (0.58) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL21649320 0.85 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL171565 0.85 EPHX2 (0.67) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL26137528 0.82 MLYCD (0.56) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL18130988 0.82 MTNR1B (0.71) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL18880072 0.81 ALDH1A1 (0.73) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL10294095 0.81 MTNR1B (0.58) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL2608943 0.80 HTT (0.70) KMT2AALDH1A1MEN1MAPTRXFP1
SCHEMBL2093071 0.80 EPHX2 (0.50) KMT2AMEN1MAPTRAB9ASMN1; SMN2

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
EP-3601231-B1 PESTICIDAL COMPOUNDS BASF SE (DE) 2023-05-10 EP disclosed
US-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CALIFORNIA CAPITAL EQUITY, LLC (US) 2012-07-05 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-20120172361-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CYP3A5, CYP11B2, ABCB1 KMT2A 2489/4885ALDH1A1 213/4885MEN1 3723/4885

“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.