SCHEMBL14773183

SCHEMBL14773183

O=C(NCCCNC(=O)c1ccccn1)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ HTT P42858 2/20 0.56
▸ TP53 P04637 3/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ MAPT P10636 6/20 0.53
▸ LMNA P02545 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL14642439 0.87 MEN1 (0.71) KMT2AMEN1HTTTP53RXFP1
SCHEMBL14773191 0.81 GRM4 (0.68) KMT2AMEN1HTTMAPTGAA
SCHEMBL13679551 0.76 MEN1 (0.69) KMT2AMEN1HTTTP53RXFP1
SCHEMBL14642442 0.74 MEN1 (0.79) KMT2AMEN1HTTTP53RXFP1
SCHEMBL13679581 0.74 MEN1 (0.69) KMT2AMEN1HTTTP53RXFP1
SCHEMBL14773186 0.74 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1
SCHEMBL14642443 0.74 MEN1 (0.72) KMT2AMEN1HTTTP53RXFP1
SCHEMBL13679609 0.74 TP53 (0.68) KMT2AMEN1HTTTP53RXFP1
SCHEMBL13679611 0.73 MEN1 (0.74) KMT2AMEN1HTTTP53RXFP1
SCHEMBL15424140 0.72 MEN1 (0.73) KMT2AMEN1HTTTP53RXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309237-B2 HIV inhibitors NEW YORK BLOOD CENTER, INC. (US) 2016-04-12 — — US disclosed
US-20140377219-A1 HIV INHIBITORS NEW YORK BLOOD CENTER, INC. (US) 2014-12-25 — — US disclosed
WO-2013036676-A1 HIV INHIBITORS NEW YORK BLOOD CENTER, INC. (US) 2013-03-14 — — WO 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-20140377219-A1 HIV INHIBITORS MAVS, CD4, SARS1 KMT2A 1491/4885MEN1 4122/4885HTT 1799/4885

“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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