SCHEMBL7950417

SCHEMBL7950417

O=C(CNC(=O)Nc1cccc(Oc2ccccc2)c1)Nc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
HTT P42858 2/20 0.66
MITF O75030 1/20 0.66
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
HDAC1 Q13547 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC3 O15379 2/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
HDAC5 Q9UQL6 2/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL7951914 0.90 RECQL (0.63) ALDH1A1POLBHDAC1HDAC2HDAC3
SCHEMBL7947039 0.87 POLB (0.56) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL22588908 0.85 CA12 (0.72) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL7406969 0.81 HTT (0.59) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL8144305 0.80 ALDH1A1 (0.73) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL11644514 0.80 ALDH1A1 (0.73) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL7932214 0.80 ALDH1A1 (0.73) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL12189621 0.78 POLB (0.71) ALDH1A1HTTMITFPOLBMAPK1
SCHEMBL9156863 0.78 KMT2A (0.57) POLBMAPK1HPGDSMN1; SMN2PKM
SCHEMBL16208414 0.77 ALDH1A1 (0.61) ALDH1A1HTTMITFPOLBMAPK1

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-8513295-B2 Viral and fungal inhibitors GEORGETOWN UNIVERSITY (US) 2013-08-20 US disclosed
US-20110301208-A1 VIRAL AND FUNGAL INHIBITORS WICHITA STATE UNIVERSITY (US) 2011-12-08 US disclosed
WO-2010039534-A2 VIRAL AND FUNGAL INHIBITORS GEORGETOWN UNIVERSITY (US) 2010-04-08 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-20110301208-A1 VIRAL AND FUNGAL INHIBITORS HAVCR2, ZC3HAV1, ERG28 ALDH1A1 2480/4885HTT 4389/4885MITF 3743/4885

“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.