SCHEMBL24422211

SCHEMBL24422211

CNCCN(C)c1ccc(C(=O)O)cn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 13/20 0.71
HCAR2 Q8TDS4 2/20 0.44
P4HA1 P13674 2/20 0.42
P4HTM Q9NXG6 2/20 0.42
MAPT P10636 1/20 0.42
MIF P14174 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40

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
SCHEMBL24218535 0.86 HCAR3 (0.52) HCAR3
SCHEMBL1906313 0.80 HCAR3 (0.77) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL11566151 0.78 HCAR3 (0.69) HCAR3P4HA1P4HTMMAPT
SCHEMBL24576251 0.76 NOS2 (0.45) HCAR3
SCHEMBL11563144 0.76 HCAR3 (0.66) HCAR3
SCHEMBL11564881 0.76 HCAR3 (0.66) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL31737249 0.76 HCAR3 (0.66) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL11565561 0.76 HCAR3 (0.66) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL185127 0.76 HCAR3 (0.65) HCAR3HCAR2P4HA1P4HTMMAPT
SCHEMBL32685183 0.75 HCAR3 (0.39) HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor Nanjing Immunophage Biotech Co., Ltd. (CN) 2022-05-12 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-20220144838-A1 Compounds as Inhibitors of Macrophage Migration Inhibitory Factor MIF, MMP12, SLC11A2 HCAR3 920/4885HCAR2 492/4885P4HA1 692/4885

“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.