SCHEMBL7042901

SCHEMBL7042901

O=C(CC1CC2CCC1C2)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CTSS P25774 12/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CHRNA7 P36544 1/20 0.36
ELANE P08246 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
SCHEMBL7045911 0.82 EPHX2 (0.47) HPGDALDH1A1HTTRAB9ACTSS
SCHEMBL7042898 0.81 ALDH1A1 (0.49) HPGDALDH1A1CTSSCYP3A4CYP2C9
SCHEMBL7047104 0.76 LMNA (0.45) HPGDALDH1A1HTTRAB9ACTSS
SCHEMBL6475534 0.74 SMN1; SMN2 (0.39) ALDH1A1HTTMAPTRAB9ACTSS
SCHEMBL6061692 0.73 CTSS (0.41) HTTCTSSLMNASMN1; SMN2CYP3A4
SCHEMBL6467567 0.73 CTSS (0.38) ALDH1A1HTTMAPTRAB9ACTSS
SCHEMBL7045297 0.73 KDM4E (0.44) HPGDALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL7048562 0.72 LMNA (0.48) ALDH1A1HTTMAPTCTSSLMNA
SCHEMBL6465159 0.72 FAAH (0.44) ALDH1A1CTSSCYP3A4CYP2C9
SCHEMBL7049761 0.71 ELANE (0.46) HTTMAPTLMNASMN1; SMN2ELANE

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.