SCHEMBL24737459

SCHEMBL24737459

O=C1NCCN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.37
MAPT P10636 3/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RET P07949 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL10669247 0.84 ALOX5 (0.38) ALOX5ALDH1A1GAAKDM4EHPGD
SCHEMBL6967967 0.82 KCNN4 (0.36) ALDH1A1GAAMAPTPOLBKDM4E
SCHEMBL17513248 0.81 ALOX5 (0.39) ALOX5ALDH1A1GAAMAPTPOLB
SCHEMBL6286827 0.74 ALDH1A1 (0.39) ALOX5ALDH1A1GAAMAPTMEN1
SCHEMBL518700 0.73 L3MBTL1 (0.41) ALOX5ALDH1A1MAPTKDM4ECYP2C9
SCHEMBL7921220 0.72 ITGB1 (0.37) ALOX5ALDH1A1MAPTCYP2C9CYP2C19
SCHEMBL29271953 0.69 ALDH1A1 (0.35) ALOX5ALDH1A1GAAPOLBKDM4E
SCHEMBL29271950 0.69 ALDH1A1 (0.35) ALOX5ALDH1A1GAAPOLBKDM4E
SCHEMBL30997797 0.69 CRBN (0.38) ALOX5ALDH1A1GAAMAPTPOLB
SCHEMBL8092347 0.69 HTT (0.41) ALOX5ALDH1A1GAAMAPTPOLB

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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
US-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN TAKEDA PHARMACEUTICALS CO (JP) 2024-07-11 US disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 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-20240228488-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN KLKB1, KLK5, KLK1 ALOX5 881/4885ALDH1A1 3026/4885GAA 1487/4885

“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.