SCHEMBL6402938

SCHEMBL6402938

O=C(Nc1ccc(Oc2cccnc2)cc1)Oc1cccc2cccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.67
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
FAAH O00519 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
METAP2 P50579 1/20 0.45
METAP1 P53582 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 1/20 0.45
MECP2 P51608 1/20 0.45

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
SCHEMBL4412821 0.91 HSP90AA1 (0.81) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL6401291 0.90 HSP90AA1 (0.71) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL5254903 0.83 HSP90AA1 (0.72) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL4409556 0.83 HSP90AA1 (0.79) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL7360935 0.81 HSP90AA1 (1.00) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL5252574 0.81 HSP90AA1 (0.71) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL5245061 0.79 HSP90AA1 (0.85) HSP90AA1NPC1RAB9AALDH1A1HTT
SCHEMBL4422323 0.79 HSP90AA1 (0.68) HSP90AA1NPC1RAB9AALDH1A1GAA
SCHEMBL4411378 0.79 HSP90AA1 (0.68) HSP90AA1ALDH1A1GAAHPGDFAAH
SCHEMBL4413967 0.78 HSP90AA1 (0.74) HSP90AA1NPC1RAB9AALDH1A1GAA

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-6949574-B2 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-27 US disclosed
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2005-06-16 US disclosed
US-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors SIT SING-YUEN (US) 2003-10-16 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 (2 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-20030195226-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 HSP90AA1 1769/4885NPC1 1367/4885RAB9A 930/4885
US-20050131032-A1 (Oxime)carbamoyl fatty acid amide hydrolase inhibitors FAAH, FAAH2, NCEH1 HSP90AA1 1769/4885NPC1 1367/4885RAB9A 930/4885

“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.