SCHEMBL4099456

SCHEMBL4099456

CCC(C(=O)O)n1nc(C)c(Oc2cc(C)c(C#N)c(C)c2)c1C

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
KDM4E B2RXH2 4/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
AR P10275 4/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL4098727 0.85 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4110055 0.85 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4110100 0.81 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4104393 0.78 KDM4E (0.34) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4959580 0.78 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4108592 0.74 LMNA (0.40) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4102622 0.73 MRGPRX4 (0.37) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL4098007 0.73 MRGPRX4 (0.37) AR
SCHEMBL4097368 0.73 RAB9A (0.42) ALDH1A1KDM4EARCYP1A2CYP2C19
SCHEMBL4104676 0.72 AR (0.34) ALDH1A1SMN1; SMN2KDM4EMAPK1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 ALDH1A1 881/4885TP53 3359/4885SMN1; SMN2 3992/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 ALDH1A1 974/4885TP53 3344/4885SMN1; SMN2 3730/4885

“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.