SCHEMBL21292987

SCHEMBL21292987

N#Cc1cc([N+](=O)[O-])cc2c1=NC(=O)C(=O)N=2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.47
XDH P47989 1/20 0.45
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 4/20 0.38
HTT P42858 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAPT P10636 3/20 0.36
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
GRM6 O15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL1269876 0.77 ALDH1A1 (0.42) ALDH1A1HTTCYP19A1MAPTCYP1A2
SCHEMBL8085829 0.76 ALDH1A1 (0.43) ALDH1A1LMNAHTTCYP19A1MAPT
SCHEMBL8085548 0.76 ALDH1A1 (0.43) VCAM1ALDH1A1LMNAHTTCYP19A1
SCHEMBL159009 0.72 MAPT (0.53) VCAM1ALDH1A1HTTMAPTGRIA1
SCHEMBL626564 0.71 MAPT (0.51) VCAM1ALDH1A1HTTMAPTGRIA1
SCHEMBL30456072 0.71 MAPT (0.51) VCAM1ALDH1A1HTTMAPTGRIA1
Water SCHEMBL30261034 0.71 MAPT (0.51) VCAM1ALDH1A1HTTMAPTGRIA1
SCHEMBL2964049 0.69 XDH (0.77) VCAM1XDHALDH1A1LMNAGAA
SCHEMBL11871225 0.69 VCAM1 (0.65) VCAM1XDHALDH1A1LMNAGAA
SCHEMBL11860384 0.69 VCAM1 (0.61) VCAM1XDHALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12590288-B2 Method of treating an inflammatory disease by administering an agent which binds a surface receptor on a tuft cell that induces an ILC class 2 inflammatory response THE BROAD INSTITUTE, INC. (US) 2026-03-31 US disclosed
US-12227578-B2 Modulation of intestinal epithelial cell differentiation, maintenance and/or function through T cell action THE BROAD INSTITUTE, INC. (US) 2025-02-18 US disclosed
WO-2024216255-A1 DOUBLE CORE-SHELL NANODISC SYNTHESIS AND APPLICATION TO MAGNETOELECTRIC BIO-SIGNALING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2024-10-17 WO disclosed
CN-115927476-A Method for reprogramming fibroblasts into autonomic ganglion organoids 向孟清 2023-04-07 CN disclosed
US-20210040442-A1 MODULATION OF EPITHELIAL CELL DIFFERENTIATION, MAINTENANCE AND/OR FUNCTION THROUGH T CELL ACTION, AND MARKERS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-11 US disclosed
US-20190263912-A1 MODULATION OF INTESTINAL EPITHELIAL CELL DIFFERENTIATION, MAINTENANCE AND/OR FUNCTION THROUGH T CELL ACTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-08-29 US 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-12590288-B2 Method of treating an inflammatory disease by administering an agent which binds a surface receptor on a tuft cell that induces an ILC class 2 inflammatory response GPR3, GALR3, NR4A3 VCAM1 632/4885XDH 3538/4885ALDH1A1 3078/4885

“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.