SCHEMBL19610657

SCHEMBL19610657

NC1=C(O)C(=O)C(c2ccnc3ccccc23)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
PTK2B Q14289 2/20 0.54
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
NCF1 P14598 1/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 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
SCHEMBL30658874 1.00 MAPT (0.54) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL30658857 0.80 MAPT (0.47) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL15621159 0.80 MAPT (0.47) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL30658872 0.77 KDM4E (0.58) MAPTKDM4EPOLBCYP1A2CYP3A4
SCHEMBL19610809 0.77 KDM4E (0.58) MAPTKDM4EPOLBCYP1A2CYP3A4
SCHEMBL30658791 0.76 MAPT (0.45) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL15619940 0.76 MAPT (0.45) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL19620504 0.74 TP53 (0.43) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL19620635 0.74 TP53 (0.43) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL29852012 0.74 MAPT (0.43) MAPTSMN1; SMN2TP53NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345596-B1 INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER RHODE ISLAND HOSPITAL (US) 2021-01-20 EP disclosed
US-10106532-B2 Inhibitors of beta-hydroxylase for treatment of cancer MIDWESTERN UNIVERSITY (US) 2018-10-23 US disclosed
EP-3345596-A2 INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER RHODE ISLAND HOSPITAL (US) 2018-07-11 EP disclosed
US-20180009798-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer MIDWESTERN UNIVERSITY 2018-01-11 US disclosed
EP-2897607-B1 INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER RHODE ISLAND HOSPITAL (US) 2017-11-22 EP 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 (2 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-10106532-B2 Inhibitors of beta-hydroxylase for treatment of cancer ASPH, CYP46A1, ALDH7A1 MAPT 3252/4885SMN1; SMN2 3703/4885TP53 873/4885
US-20180009798-A1 Inhibitors of Beta-Hydroxylase for Treatment of Cancer ASPH, CYP46A1, ALDH7A1 MAPT 3252/4885SMN1; SMN2 3703/4885TP53 873/4885

“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.