SCHEMBL20204741

SCHEMBL20204741

O=c1[nH]c(Cc2ccccc2)cnc1Cc1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
AHR P35869 4/20 0.50
CAPN1 P07384 1/20 0.48
GPR84 Q9NQS5 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SSTR4 P31391 2/20 0.47
SSTR3 P32745 2/20 0.47
SSTR1 P30872 1/20 0.47
HTR6 P50406 1/20 0.46
SLC6A2 P23975 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
CYP19A1 P11511 1/20 0.43
AOC3 Q16853 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL20204872 0.95 MEN1 (0.57) MEN1KMT2AAHRCAPN1GPR84
SCHEMBL20204665 0.92 AHR (0.55) MEN1KMT2AAHRGPR84CYP3A4
SCHEMBL20204738 0.86 AHR (0.51) MEN1KMT2AAHRGPR84CYP3A4
SCHEMBL20204711 0.81 CAPN1 (0.63) KMT2ACAPN1AOC3KDM4EALDH1A1
SCHEMBL21707860 0.81 AHR (0.48) MEN1KMT2AAHRCAPN1GPR84
SCHEMBL21707861 0.76 CAPN1 (0.61) MEN1KMT2AAHRCAPN1GPR84
SCHEMBL30648199 0.75 MEN1 (1.00) MEN1KMT2AAHRGPR84CYP3A4
SCHEMBL553605 0.75 MEN1 (1.00) MEN1KMT2AAHRGPR84CYP3A4
SCHEMBL20204597 0.74 CAPN1 (0.55) CAPN1GPR84AOC3KDM4EALDH1A1
SCHEMBL20204740 0.74 CAPN1 (0.49) MEN1KMT2AAHRCAPN1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 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 (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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL MEN1 3690/4885KMT2A 3092/4885AHR 3157/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL MEN1 3690/4885KMT2A 3092/4885AHR 3157/4885

“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.