SCHEMBL12562434

SCHEMBL12562434

COc1ccc(-c2c(C(C)=O)c(C)nc3sc(C(C)=O)c(N)c23)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 8/20 0.69
▸ MAPT P10636 6/20 0.67
▸ ABCC1 P33527 4/20 0.67
▸ ALDH1A1 P00352 7/20 0.62
▸ HPGD P15428 6/20 0.62
▸ KDM4E B2RXH2 4/20 0.61
▸ GAA P10253 1/20 0.61
▸ LMNA P02545 1/20 0.59
▸ HTT P42858 2/20 0.59
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL17747499 0.88 ABCG2 (0.75) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL17747488 0.83 ABCG2 (0.85) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL17747435 0.82 ABCG2 (0.83) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL17747482 0.81 ABCG2 (0.77) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL17747436 0.81 ABCG2 (1.00) ABCG2MAPTABCC1ALDH1A1KMT2A
SCHEMBL17747438 0.80 ABCG2 (0.85) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL17747465 0.78 ABCG2 (0.76) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL17747472 0.78 ABCG2 (0.75) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL12562466 0.78 MAPT (0.84) ABCG2MAPTABCC1ALDH1A1HPGD
SCHEMBL4060486 0.78 ALDH1A1 (0.56) ALDH1A1HPGDKDM4ELMNACYP3A4

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-20110152301-A1 Compounds that Inhibit HIV Particle Formation UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-23 — — 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-20110152301-A1 Compounds that Inhibit HIV Particle Formation REV1, VPS51, FLOT1 ABCG2 2375/4885MAPT 1501/4885ABCC1 3247/4885

“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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