SCHEMBL7601782

SCHEMBL7601782

COc1ccc(N)cc1C(=O)NC(C)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.55
ALDH1A1 P00352 5/20 0.50
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41
PSMA2 P25787 1/20 0.41
PSMA3 P25788 1/20 0.41
PSMA4 P25789 1/20 0.41
PSMB8 P28062 1/20 0.41
PSMB9 P28065 1/20 0.41
PSMA5 P28066 1/20 0.41
PSMB4 P28070 1/20 0.41

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
SCHEMBL10288229 0.83 ALDH1A1 (0.58) ALOX5ALDH1A1HPGDGAALMNA
SCHEMBL655826 0.81 ALDH1A1 (0.53) ALOX5ALDH1A1GAACYP1A2CYP2C9
SCHEMBL728419 0.81 ALDH1A1 (0.53) ALOX5ALDH1A1GAACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL2553196 0.80 ALDH1A1 (0.51) ALOX5ALDH1A1GAACYP1A2CYP2C9
SCHEMBL5925494 0.78 GAA (0.64) ALOX5ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL8029750 0.78 HPGD (0.69) ALDH1A1HPGDGAALMNASMN1; SMN2
SCHEMBL7598685 0.77 SMN1; SMN2 (0.53) ALDH1A1CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL570110 0.77 GAA (0.61) ALDH1A1HPGDGAALMNA
SCHEMBL2915261 0.76 ALDH1A1 (0.59) ALOX5ALDH1A1GAACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL15488205 0.76 GAA (0.59) ALDH1A1HPGDGAALMNA

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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 ALOX5 223/4885ALDH1A1 449/4885HPGD 458/4885

“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.