SCHEMBL976440

SCHEMBL976440

COC(=O)c1ccc(C(=O)Nc2cccnc2O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
EGLN1 Q9GZT9 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.49
F10 P00742 1/20 0.49
HDAC6 Q9UBN7 2/20 0.48
ALOX15 P16050 1/20 0.48
HTT P42858 1/20 0.48
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL979284 0.84 RAB9A (0.74) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL27990883 0.83 KDR (0.65) NPC1RAB9APOLBCYP1A2CYP2D6
SCHEMBL13852143 0.82 TDP1 (0.68) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL19616631 0.82 HDAC6 (0.73) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL8658147 0.81 F10 (0.71) NPC1RAB9AMAPTKMT2AGAA
SCHEMBL19616383 0.81 HDAC6 (0.74) MAPTKMT2APOLBMEN1CYP1A2
SCHEMBL11831401 0.81 NPC1 (0.52) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL12567761 0.78 HPGD (0.44) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL13210686 0.78 P4HTM (0.58) NPC1RAB9AKMT2APOLBGAA
SCHEMBL26258579 0.77 KDR (0.70) NPC1RAB9AMAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2011-01-27 US disclosed
EP-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 ASTRAZENECA AB (SE) 2009-11-12 US disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
US-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 ASTRAZENECA AB (SE) 2009-05-21 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 (3 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-20090131468-A1 Bis-(Sulfonylamino) Derivatives in Therapy 065 PTGER1, CYP3A5, SULT1E1 NPC1 2125/4885RAB9A 3173/4885MAPT 981/4885
US-20090281138-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 NPC1 1899/4885RAB9A 3336/4885MAPT 1161/4885
US-20110021540-A1 Bis-(Sulfonylamino) Derivatives in Therapy 066 CYP2D6, PTGER1, CYP2B6 NPC1 1899/4885RAB9A 3336/4885MAPT 1161/4885

“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.