SCHEMBL7045440

SCHEMBL7045440

O=C(CCC1CCCC1)NCC(CCc1ccccc1O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
BACE1 P56817 1/20 0.39
SOAT1 P35610 1/20 0.38
POLB P06746 1/20 0.38
CTSS P25774 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7045920 0.90 CTSL (0.40) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7049302 0.84 FAAH (0.40) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7112289 0.79 HPGD (0.41) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL7044965 0.79 ALDH1A1 (0.43) HPGDSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL6466334 0.77 CCR1 (0.39) HPGDRAB9ANPC1ALDH1A1MEN1
SCHEMBL6463648 0.76 CTSS (0.39) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6466336 0.73 MEN1 (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6463649 0.73 MEN1 (0.40) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6473321 0.73 MEN1 (0.40) HPGDRAB9ASMN1; SMN2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL6465927 0.70 ALDH1A1 (0.36) ALDH1A1

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ HPGD 536/4885RAB9A 1895/4885SMN1; SMN2 4034/4885

“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.