SCHEMBL10294113

SCHEMBL10294113

CNC(=O)c1ccc(OC(C)(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.66
▸ TSHR P16473 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ PLK1 P53350 6/20 0.63
▸ MMP13 P45452 2/20 0.58
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ TRPV1 Q8NER1 2/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CA1 P00915 1/20 0.44

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
SCHEMBL2208745 0.83 HPGD (0.63) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL10294125 0.81 MLYCD (0.57) HPGDTRPV1MAPTCYP1A2CYP2C19
SCHEMBL10294117 0.80 EPHX2 (0.50) HPGDSMN1; SMN2PLK1HDAC2EPHX2
SCHEMBL28093663 0.80 HPGD (0.59) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL20076975 0.79 ELANE (0.60) HPGDTSHRSMN1; SMN2MAPTCYP1A2
SCHEMBL13184545 0.79 HPGD (1.00) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL2645679 0.79 HPGD (0.76) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL28012461 0.79 TRPV1 (0.65) HPGDTSHRHTTSMN1; SMN2PLK1
SCHEMBL2733809 0.78 CA1 (0.64) TSHRSMN1; SMN2MAPTCA2CA1
SCHEMBL250247 0.78 HDAC6 (0.80) HPGDTSHRHTTSMN1; SMN2PLK1

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-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 HPGD 1190/4885TSHR 129/4885HTT 585/4885

“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.

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