SCHEMBL26913618

SCHEMBL26913618

O=[N+]([O-])c1cc(Br)cnc1NCC1CCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HCAR3 P49019 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 3/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 5/20 0.39
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
ALOX12 P18054 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL26913614 1.00 KMT2A (0.42) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL3997225 0.85 PRKCQ (0.44) PRKCQ
SCHEMBL3368189 0.84 PRKCQ (0.49) PRKCQ
SCHEMBL26914147 0.82 JAK2 (0.42) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL26914409 0.82 HCAR3 (0.58) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL26914411 0.82 HCAR3 (0.58) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL26914149 0.82 JAK2 (0.42) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL29103472 0.81 KMT2A (0.43) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL29103469 0.81 KMT2A (0.43) KMT2AMEN1HCAR3ALDH1A1POLB
SCHEMBL30474164 0.81 KMT2A (0.43) KMT2AMEN1HCAR3ALDH1A1POLB

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-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-12-07 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-20230391760-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR KMT2A 4116/4885MEN1 517/4885HCAR3 393/4885

“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.