SCHEMBL9953641

SCHEMBL9953641

CNS(=O)(=O)c1cc(Br)cnc1OC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.42
PIK3CD O00329 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.39
ULK1 O75385 1/20 0.38
S100A9 P06702 1/20 0.38
CCR4 P51679 3/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9954692 0.84 SHMT2 (0.42) SHMT2MEN1KMT2APOLBNPC1
SCHEMBL9952694 0.83 NPSR1 (0.46) SHMT2MEN1KMT2APOLBNPC1
SCHEMBL14305923 0.83 SMN1; SMN2 (0.57) SHMT2MEN1KMT2APOLBNPC1
SCHEMBL9958880 0.83 SHMT2 (0.39) SHMT2MEN1KMT2APOLBPIK3CD
SCHEMBL9954790 0.81 SHMT2 (0.41) SHMT2MEN1KMT2APOLBNPC1
SCHEMBL14305924 0.81 SHMT2 (0.40) SHMT2MEN1KMT2APOLBPIK3CD
SCHEMBL9954020 0.81 PIK3C3 (0.49) SHMT2MEN1KMT2APOLBL3MBTL1
SCHEMBL9955406 0.81 GLA (0.42) SHMT2MEN1KMT2APOLBNPC1
SCHEMBL20680333 0.80 SHMT2 (0.40) SHMT2MEN1KMT2APOLBNPC1
SCHEMBL1502532 0.80 CA12 (0.44) SHMT2MEN1KMT2APOLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 US disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 CN disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 US disclosed
WO-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 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 (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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 SHMT2 4036/4885MEN1 455/4885KMT2A 2000/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 SHMT2 4036/4885MEN1 455/4885KMT2A 2000/4885

“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.