SCHEMBL13239642

SCHEMBL13239642

O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1nc2ccccc2s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.70
EPHX2 P34913 6/20 0.70
NPC1 O15118 5/20 0.69
MAPT P10636 5/20 0.69
RAB9A P51151 5/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
NFKB1 P19838 3/20 0.69
NFKB2 Q00653 3/20 0.69
RELA Q04206 3/20 0.69
GAA P10253 1/20 0.69
KDR P35968 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
POLB P06746 2/20 0.60
USP2 O75604 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CSNK1D P48730 2/20 0.60
HPGD P15428 1/20 0.58
DYRK1A Q13627 1/20 0.58
SCD O00767 1/20 0.58

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
SCHEMBL13200871 0.84 CSNK1D (0.77) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL13234642 0.83 POLB (0.61) ALOX5EPHX2NPC1MAPTRAB9A
SCHEMBL1143751 0.83 NPC1 (1.00) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL21858370 0.82 NPC1 (1.00) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL4889787 0.82 HDAC1 (0.57) ALOX5EPHX2NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL28640786 0.81 NPC1 (0.97) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL21295527 0.80 MEN1 (0.77) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL32674581 0.78 NPC1 (0.84) EPHX2NPC1MAPTRAB9AMEN1
SCHEMBL27634788 0.78 NPC1 (0.84) EPHX2NPC1MAPTRAB9AMEN1
SCHEMBL13234641 0.78 MEN1 (0.61) NPC1MAPTRAB9AMEN1KMT2A

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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 US disclosed
US-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS AMBIT BIOSCIENCES CORPORATION 2010-07-08 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-20100173917-A1 UREA DERIVATIVES AS ABL MODULATORS ABL1, ABL2, BCR ALOX5 4302/4885EPHX2 3083/4885NPC1 1569/4885

“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.