SCHEMBL7112289

SCHEMBL7112289

O=C(CC1CC2CCC1C2)NCC(CCc1ccccc1O)c1nc2ccccc2o1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
ALDH1A1 P00352 4/20 0.39
HTT P42858 3/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
ECE1 P42892 1/20 0.34
LMNA P02545 3/20 0.34
P2RX7 Q99572 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
GALK1 P51570 1/20 0.32
RECQL P46063 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL7045440 0.79 HPGD (0.41) HPGDALDH1A1HTTRAB9ALMNA
SCHEMBL7049302 0.77 FAAH (0.40) HPGDALDH1A1RAB9AMAPTLMNA
SCHEMBL7044965 0.76 ALDH1A1 (0.43) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL6472487 0.75 ALDH1A1 (0.49) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL7042898 0.72 ALDH1A1 (0.49) HPGDALDH1A1
SCHEMBL7042901 0.71 HPGD (0.43) HPGDALDH1A1HTTRAB9AMAPT
SCHEMBL7045920 0.70 CTSL (0.40) HPGDALDH1A1RAB9ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6465927 0.69 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6466334 0.67 CCR1 (0.39) HPGDALDH1A1RAB9AMAPTLMNA
SCHEMBL6463648 0.67 CTSS (0.39) HPGDALDH1A1HTTRAB9AMAPT

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 536/4885ALDH1A1 3027/4885HTT 2464/4885

“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.