SCHEMBL30860972

SCHEMBL30860972

Cc1ccc(Br)c2cn[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.46
AXL P30530 1/20 0.46
MAPT P10636 1/20 0.43
HTT P42858 2/20 0.39
PTK2 Q05397 1/20 0.39
HAO1 Q9UJM8 1/20 0.36
BRAF P15056 1/20 0.35
EIF2AK3 Q9NZJ5 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK10 P53779 1/20 0.33
RIPK1 Q13546 1/20 0.33
METAP2 P50579 3/20 0.32
IDO1 P14902 4/20 0.32
TDO2 P48775 1/20 0.32
DRD4 P21917 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL15687490 1.00 NOS1 (0.46) NOS1AXLMAPTHTTPTK2
SCHEMBL16059776 0.84 NOS1 (0.46) NOS1AXLMAPTHTTPTK2
SCHEMBL31148280 0.83 NOS1 (0.52) NOS1AXLMAPTHTTPTK2
SCHEMBL6127809 0.83 MAPT (0.48) NOS1MAPTHTTPTK2BRAF
SCHEMBL14553409 0.83 NOS1 (0.52) NOS1AXLMAPTHTTPTK2
SCHEMBL25469229 0.76 MAPT (0.43) MAPTHTTPTK2BRAFEIF2AK3
SCHEMBL5015989 0.76 MAPT (0.52) MAPTHTTPTK2BRAFEIF2AK3
SCHEMBL3497181 0.76 NOS1 (0.46) NOS1AXLPTK2BRAFEIF2AK3
SCHEMBL17697600 0.76 NOS1 (0.46) NOS1MAPTHTTPTK2BRAF
SCHEMBL3496477 0.76 NOS1 (0.46) NOS1MAPTHTTPTK2BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIVERSITY 2024-07-11 US disclosed
WO-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 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 (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-20240228489-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM3, CHRM2 NOS1 2108/4885AXL 2103/4885MAPT 337/4885

“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.