SCHEMBL14219169

SCHEMBL14219169

CCCCOc1ccc(-n2nnnc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.49
MAPT P10636 3/20 0.47
LTA4H P09960 2/20 0.46
NR5A1 Q13285 1/20 0.46
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 6/20 0.46
CYP2C9 P11712 5/20 0.46
CYP3A4 P08684 5/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 4/20 0.46
TSHR P16473 3/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4202188 0.83 CYP2D6 (0.54) CYP19A1MAPTLTA4HALDH1A1LMNA
SCHEMBL4204760 0.82 MAPT (0.53) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4203093 0.81 MAPT (0.52) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4199749 0.79 CYP19A1 (0.47) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4199024 0.78 CYP19A1 (0.46) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4211651 0.77 ALDH1A1 (0.54) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL14192708 0.77 PKM (0.55) MAPTLTA4HALDH1A1LMNACYP1A2
SCHEMBL4202181 0.76 ALDH1A1 (0.44) CYP19A1MAPTALDH1A1LMNACYP2D6
SCHEMBL4207380 0.76 ALDH1A1 (0.52) CYP19A1MAPTALDH1A1LMNATSHR
SCHEMBL4203992 0.75 ALDH1A1 (0.51) CYP19A1MAPTALDH1A1LMNATSHR

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-8362017-B2 N-[5-chloro-2-(methyloxy)phenyl]-2-{[3-(1H-tetrazol-1-yl)phenyl]oxy}acetamide; antiproliferative agents; protein kinase inhibitors; drug screening EXELIXIS, INC. (US) 2013-01-29 US disclosed
US-20080096892-A1 C-Kit Modulators And Methods Of Use EXELIXIS, INC. (US) 2008-04-24 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-20080096892-A1 C-Kit Modulators And Methods Of Use KIT, PRKCH, PRKCB CYP19A1 3435/4885MAPT 4370/4885LTA4H 1064/4885

“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.