SCHEMBL22325397

SCHEMBL22325397

COCc1ccc(C2=CCN(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NAMPT P43490 3/20 0.45
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
ALOX15 P16050 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 1/20 0.44
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 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
SCHEMBL22325023 0.83 NAMPT (0.56) NAMPTCNR1
SCHEMBL14562979 0.81 QDPR (0.53) QDPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL20993989 0.81 QDPR (0.57) QDPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL16874748 0.80 PRMT5 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL22324869 0.80 MEN1 (0.46) QDPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL15952018 0.79 QDPR (0.48) QDPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL28811687 0.77 ALDH1A1 (0.63) QDPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL2241959 0.77 ALDH1A1 (0.67) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL5386097 0.77 QDPR (0.65) QDPRMEN1KMT2ANAMPTALDH1A1
SCHEMBL4947674 0.76 ALDH1A1 (0.50) QDPRMEN1KMT2ANAMPTALDH1A1

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-20220144797-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-05-12 US disclosed
WO-2020163689-A1 20-HETE FORMATION INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-08-13 WO 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-20220144797-A1 20-HETE FORMATION INHIBITORS CYP4A22, ALOX5, ALOX15 QDPR 273/4885MEN1 4869/4885KMT2A 4424/4885

“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.