SCHEMBL17775404

SCHEMBL17775404

CC[C@H]1C(=O)CCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 14/20 0.52
▸ ALDH1A1 P00352 7/20 0.52
▸ HPGD P15428 6/20 0.52
▸ KDM4E B2RXH2 5/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ GLA P06280 4/20 0.52
▸ HIF1A Q16665 4/20 0.52
▸ HSD17B10 Q99714 4/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ TP53 P04637 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ HDAC1 Q13547 2/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ HBB P68871 2/20 0.52

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
SCHEMBL21142123 0.86 TOP1 (0.52) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17779620 0.84 TOP1 (0.51) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL22596800 0.84 TOP1 (0.51) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5803265 0.84 TOP1 (0.62) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL5803262 0.84 TOP1 (0.62) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL25932514 0.82 TOP1 (0.58) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17775406 0.79 TOP1 (0.61) TOP1ALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL15149692 0.79 TOP1 (0.58) TOP1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL17775409 0.78 TOP1 (0.60) TOP1ALDH1A1KDM4ESMN1; SMN2GLA
SCHEMBL15080455 0.76 TOP1 (0.55) TOP1ALDH1A1HPGDKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160143900-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION OYAGEN, INC. (US) 2016-05-26 — — 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-20160143900-A1 CAMPTOTHECIN DERIVATIVES AS ANTI-HIV AGENTS AND METHODS OF IDENTIFYING AGENTS THAT DISRUPT VIF SELF-ASSOCIATION REV1, APOBEC3A, TOP2A TOP1 11/4885ALDH1A1 1625/4885HPGD 2721/4885

“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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