SCHEMBL25409666

SCHEMBL25409666

O=C(O)NCCNc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CASR P41180 1/20 0.48
CXCL8 P10145 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNQ2 O43526 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21373429 0.83 CASR (0.68) MEN1KMT2ACASRNPC1RAB9A
SCHEMBL9421891 0.82 MAPT (0.52) MEN1KMT2ACXCL8CYP1A2HPGD
SCHEMBL3760061 0.80 MAPT (0.70) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL26487832 0.80 HPGD (0.64) MEN1KMT2ACASRCXCL8NPC1
SCHEMBL2973683 0.79 HDAC3 (0.47) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL16585537 0.77 HTT (0.49) MEN1KMT2ANPC1RAB9AHTT
SCHEMBL30597277 0.77 MALT1 (0.57) MEN1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL988485 0.77 MALT1 (0.57) MEN1KMT2AHPGDSMN1; SMN2POLB
SCHEMBL21987081 0.76 CA12 (0.60) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL3655465 0.76 CA12 (0.74) MEN1KMT2ANPC1RAB9ACA12

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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF Gacter Inc. (US) 2023-09-14 US disclosed
CN-102333779-B Benzopyran and benzoxex PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2015-12-09 CN 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-20230286913-A1 INHIBITORS OF NITRIC OXIDE SYNTHASES (NOS), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF NOS1, NOS3, NOS2 MEN1 2794/4885KMT2A 3286/4885CASR 1978/4885

“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.