SCHEMBL6301915

SCHEMBL6301915

O=C(C[C@@H](O)c1ccccc1)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HMOX2 P30519 1/20 0.50
FAAH O00519 1/20 0.49
MGLL Q99685 1/20 0.49
CYP19A1 P11511 2/20 0.42
TBXAS1 P24557 2/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6299525 1.00 HMOX2 (0.50) HMOX2FAAHMGLLCYP19A1TBXAS1
SCHEMBL22047552 0.76 TBXAS1 (0.46) HMOX2FAAHMGLLTBXAS1
SCHEMBL15099355 0.74 FAAH (0.54) HMOX2FAAHMGLLCYP19A1TBXAS1
SCHEMBL10613945 0.74 CYP19A1 (0.47) FAAHMGLLCYP19A1TBXAS1
SCHEMBL1260765 0.73 FAAH (0.52) HMOX2FAAHMGLLCYP19A1TBXAS1
SCHEMBL9033220 0.73 SMN1; SMN2 (0.50) HMOX2FAAHMGLL
SCHEMBL10584100 0.72 CYP19A1 (0.49) HMOX2FAAHMGLLCYP19A1
SCHEMBL1260766 0.72 TBXAS1 (0.50) CYP19A1TBXAS1
SCHEMBL28565013 0.72 ALDH1A1 (0.54) FAAHMGLLCYP19A1TBXAS1KDM4E
SCHEMBL25635684 0.72 TBXAS1 (0.37) HMOX2FAAHMGLLTBXAS1KDM4E

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-6943183-B2 5-substituted tetralones as inhibitors of ras farnesyl transferase PFIZER INC (US) 2005-09-13 US disclosed
US-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase WARNER-LAMBERT COMPANY 2004-03-04 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-20040044057-A1 5- substituted tetralones as inhibitors of ras farnesyl trransferase PTAR1, FNTA, GGPS1 HMOX2 4054/4885FAAH 603/4885MGLL 1654/4885

“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.