SCHEMBL5549549

SCHEMBL5549549

COc1cccc(Oc2ccc(N)cc2C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
ALDH1A1 P00352 5/20 0.56
CYP3A4 P08684 1/20 0.56
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
BRCA1 P38398 1/20 0.53
HBB P68871 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPT P10636 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.49
GAA P10253 2/20 0.47
MITF O75030 1/20 0.47
GFER P55789 1/20 0.47
NLRP1 Q9C000 1/20 0.47
NOD2 Q9HC29 1/20 0.47
CYP19A1 P11511 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL7879764 0.95 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL2997554 0.93 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL7569937 0.88 MAOB (0.55) SMN1; SMN2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5316111 0.85 MAPT (0.66) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL5549472 0.85 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5549511 0.84 TDP1 (0.54) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL29764012 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL23850 0.84 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1CYP3A4KDM4EMEN1
SCHEMBL11855895 0.83 ACHE (0.57) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL2992849 0.82 MAOA (0.52) SMN1; SMN2ALDH1A1CYP3A4MEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147093-B1 SUBSTITUTED BICYCLIC DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PROD INC (US) 2007-04-11 EP disclosed
US-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents PFIZER INC. 2003-10-02 US disclosed
US-6541481-B2 A quinazoline compound PFIZER INC 2003-04-01 US disclosed
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents KATH JOHN CHARLES (US) 2001-10-25 US disclosed
US-6284764-B1 ANTIPROLIFERATIVE AGENT PFIZER INC. 2001-09-04 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 (2 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-20030186995-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 SMN1; SMN2 1462/4885ALDH1A1 393/4885CYP3A4 449/4885
US-20010034351-A1 Substituted bicyclic derivatives useful as anticancer agents CCNA1, MCL1, RCC1 SMN1; SMN2 1462/4885ALDH1A1 393/4885CYP3A4 449/4885

“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.