SCHEMBL1105943

SCHEMBL1105943

Cc1ncc(C(=O)O)nc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 9/20 0.40
ASPH Q12797 2/20 0.40
KDM8 Q8N371 1/20 0.40
HCAR2 Q8TDS4 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 1/20 0.38
NAPRT Q6XQN6 1/20 0.36
AKR1B1 P15121 1/20 0.36
TSHR P16473 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
P4HA1 P13674 1/20 0.35
MIF P14174 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
HIF1A Q16665 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL30112000 0.81 ALOX15 (0.48) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL702638 0.81 ALOX15 (0.48) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1105939 0.78 ALDH1A1 (0.46) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL10335107 0.78 ALOX15 (0.46) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL25467254 0.76 ALDH1A1 (0.44) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31660354 0.76 ALOX15 (0.41) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL4221972 0.73 ALDH1A1 (0.46) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29488827 0.73 ALDH1A1 (0.46) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26087799 0.73 ALOX15 (0.46) ALOX15ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26672964 0.73 ALOX15 (0.46) ALOX15ALDH1A1HPGDHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 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-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 ALOX15 2533/4885ALDH1A1 1644/4885HPGD 1763/4885

“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.