SCHEMBL25652149

SCHEMBL25652149

CCc1ccnc(C)c1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NOS2 P35228 2/20 0.37
NOS3 P29474 1/20 0.37
LMNA P02545 3/20 0.36
PDXK O00764 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AOX1 Q06278 1/20 0.36
HTR1A P08908 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
MAOA P21397 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
SCHEMBL3679899 0.88 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL7117691 0.85 NOS2 (0.45) NOS2NOS3HTR1ATAAR1P2RX7
Hydrochloric Acid SCHEMBL11412747 0.80 NOS2 (0.37) KDM4EHPGDNOS2NOS3HTR1A
SCHEMBL25652146 0.80 NOS2 (0.37) NOS2NOS3HTR1ATAAR1P2RX7
SCHEMBL844233 0.80 PDE3B (0.39) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL31214305 0.79 KDM4E (0.37) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL21850515 0.79 NOS3 (0.32) NOS2NOS3PDXKHTR1ATAAR1
SCHEMBL305502 0.77 NOS2 (0.45) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL31150926 0.77 NOS2 (0.45) KDM4EALDH1A1HPGDHSD17B10NOS2
SCHEMBL11412750 0.76 NOS2 (0.38) NOS2NOS3HTR1ATAAR1

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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 US disclosed
US-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF NICOYA THERAPEUTICS (SHANGHAI) CO., LTD (CN) 2023-06-15 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-20230183221-A1 PYRIDINE DERIVATIVE AND APPLICATION THEREOF XDH, CYP11B2, DPYD KDM4E 1986/4885ALDH1A1 165/4885HPGD 89/4885

“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.