SCHEMBL763528

SCHEMBL763528

O=C(CI)Nc1ccccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.57
GAA P10253 6/20 0.53
NPC1 O15118 4/20 0.53
TP53 P04637 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 6/20 0.51
RAB9A P51151 5/20 0.51
MEN1 O00255 5/20 0.51
MAPT P10636 4/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PKM P14618 1/20 0.51
TDP1 Q9NUW8 2/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL6688900 0.87 TDP1 (0.56) HTTKMT2AMEN1ALDH1A1HPGD
SCHEMBL13416408 0.85 KDM1A (0.68) KDM1AGAANPC1TP53LMNA
SCHEMBL10955276 0.82 KDM1A (0.59) KDM1AGAANPC1TP53LMNA
SCHEMBL17550098 0.80 KDM1A (0.62) KDM1AGAANPC1TP53LMNA
SCHEMBL968912 0.80 CA1 (0.64) KDM1AGAANPC1TP53LMNA
SCHEMBL860003 0.80 KDM1A (0.57) KDM1AGAANPC1TP53LMNA
SCHEMBL9848848 0.80 KDM1A (0.57) KDM1AGAANPC1TP53LMNA
SCHEMBL4604147 0.80 ALDH1A1 (0.57) KDM1AGAANPC1TP53LMNA
SCHEMBL4361189 0.80 KDM1A (0.62) KDM1AGAANPC1TP53LMNA
SCHEMBL11030101 0.78 HPGD (0.66) NPC1LMNARAB9AMAPTALDH1A1

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-8138339-B2 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20090318407-A1 Inhibitors of protein kinases PORTOLA PHARMACEUTICALS, INC. (US) 2009-12-24 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-20090318407-A1 Inhibitors of protein kinases SYK, BTK, JAK1 KDM1A 1762/4885GAA 2777/4885NPC1 4024/4885

“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.