SCHEMBL16079947

SCHEMBL16079947

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nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ITGA4 P13612 2/20 0.41
ITGB7 P26010 2/20 0.41
HPGD P15428 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 1/20 0.40
CA2 P00918 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
THRB P10828 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3917371 0.84 CA2 (0.46) KMT2AMEN1LMNACYP1A2CYP2C19
SCHEMBL467999 0.84 PPARG (0.52) ITGA4ITGB7ALDH1A1ACEPPARG
SCHEMBL468492 0.84 PPARG (0.52) ITGA4ITGB7ALDH1A1ACEPPARG
SCHEMBL16079948 0.83 CA2 (0.55) KMT2AMEN1ITGA4ITGB7HPGD
SCHEMBL16079946 0.80 KMT2A (0.46) KMT2AMEN1ITGA4ITGB7HPGD
SCHEMBL8932129 0.79 MEN1 (0.40) KMT2AMEN1ITGA4ITGB7LMNA
SCHEMBL11152525 0.76 CTSL (0.57) ITGA4ITGB7CTSL
SCHEMBL27774164 0.73 MEN1 (0.38) KMT2AMEN1ITGA4ITGB7LMNA
SCHEMBL8334919 0.70 ITGA4 (0.57) KMT2AMEN1ITGA4ITGB7HPGD
SCHEMBL8815510 0.70 ACACB (0.45) SMN1; SMN2ALDH1A1PPARGPPARACTSL

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-9440963-B2 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
US-20140275103-A1 Compositions, formulations and methods for treating ocular diseases AERPIO THERAPEUTICS INC. (US) 2014-09-18 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-20140275103-A1 Compositions, formulations and methods for treating ocular diseases TIE1, TEK, KDR KMT2A 1502/4885MEN1 875/4885ITGA4 1589/4885

“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.