SCHEMBL4373571

SCHEMBL4373571

NCCSc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
MAOA P21397 1/20 0.50
HTR2A P28223 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSP90AA1 P07900 1/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAOB P27338 2/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
CASP3 P42574 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SDCBP O00560 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
SCHEMBL3667550 0.87 ALDH1A1 (0.48) MAOAMAOBALDH1A1RAB9AMAPK1
SCHEMBL10597373 0.85 ALDH1A1 (0.52) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
Hydrochloric Acid SCHEMBL10395904 0.85 MAOA (0.46) SMN1; SMN2MAOAHTR2ATAAR1HSP90AA1
SCHEMBL10595686 0.80 SMN1; SMN2 (0.48) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL5004325 0.80 L3MBTL1 (0.46) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
Hydrochloric Acid SCHEMBL5000671 0.78 L3MBTL1 (0.45) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
Hydrochloric Acid SCHEMBL5007230 0.78 L3MBTL1 (0.45) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL23916317 0.78 MAPK1 (0.48) ALDH1A1RAB9AMAPK1NPC1KMT2A
SCHEMBL9478244 0.78 SMN1; SMN2 (0.47) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1
SCHEMBL2097425 0.76 CA12 (0.52) SMN1; SMN2MAOAHSP90AA1KCNH2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death HEPAREGENIX GMBH (DE) 2024-02-27 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 US disclosed
EP-1670757-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-21 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed
US-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 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 (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-11912701-B2 Protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death MAPK4, MAPK7, MAPK14 SMN1; SMN2 4677/4885MAOA 3461/4885HTR2A 4500/4885
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 SMN1; SMN2 4724/4885MAOA 2832/4885HTR2A 1007/4885

“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.