SCHEMBL23201213

SCHEMBL23201213

N=C(NC(=O)O)c1ccc(CN)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.42
CYP1A2 P05177 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
VNN1 O95497 1/20 0.36

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
SCHEMBL7481552 0.80 HDAC3 (0.38) P4HTMCYP1A2TSHRKDM4EMEN1
SCHEMBL29202480 0.80 ITGB3 (0.43) P4HTM
SCHEMBL30386641 0.80 ITGB3 (0.43) P4HTM
SCHEMBL2881907 0.78 P4HTM (0.67) P4HTMCYP1A2TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL18300381 0.75 LOXL2 (0.37) P4HTMCYP1A2TSHRKDM4EMEN1
SCHEMBL5395162 0.75 LOXL2 (0.52) CYP1A2TSHRKDM4ECYP2D6CYP2C9
SCHEMBL2642450 0.74 KMT2A (0.50) P4HTMCYP1A2TSHRKDM4EMEN1
SCHEMBL16938675 0.74 LOXL2 (0.50) P4HTMCYP1A2TSHRKDM4EMEN1
Hydrochloric Acid SCHEMBL6789524 0.73 LOXL2 (0.50) CYP1A2TSHRKDM4ECYP2D6CYP2C9
Hydrochloric Acid SCHEMBL6792710 0.73 LOXL2 (0.50) CYP1A2TSHRKDM4ECYP2D6CYP2C9

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-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-11584714-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-02-21 US disclosed
EP-3802489-A2 MASP-2 INHIBITORS AND METHODS OF USE Omeros Corporation (US) 2021-04-14 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-11584714-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 P4HTM 3784/4885CYP1A2 4233/4885TSHR 3558/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 P4HTM 3784/4885CYP1A2 4233/4885TSHR 3558/4885

“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.