SCHEMBL5630504

SCHEMBL5630504

O=C(NCC1CC1)c1ccc(Br)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.57
CNR2 P34972 1/20 0.55
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DGAT1 O75907 1/20 0.49
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
POLB P06746 1/20 0.45
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
MAPK14 Q16539 2/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL22227216 0.87 MAP2K1 (0.47) MAP2K1CNR2NPC1RAB9AKMT2A
SCHEMBL7982043 0.85 NPC1 (0.64) CNR2NPC1RAB9AALDH1A1MAPK14
SCHEMBL14720615 0.83 DRD2 (0.50) MAP2K1CNR2NPC1RAB9AKMT2A
SCHEMBL12121083 0.82 CNR2 (0.55) MAP2K1CNR2NPC1RAB9AMAPK14
SCHEMBL26838419 0.81 TMEM97 (0.59) NPC1RAB9AKMT2AALDH1A1LMNA
Acetic Acid SCHEMBL6454337 0.80 NPC1 (0.59) MAP2K1CNR2NPC1RAB9AALDH1A1
SCHEMBL16564432 0.79 POLB (0.54) KMT2AMEN1POLBHPGDDRD2
SCHEMBL5633653 0.79 MAPK14 (0.67) MAPK14
SCHEMBL14720296 0.78 MAP2K1 (0.43) MAP2K1CNR2NPC1RAB9AKMT2A
SCHEMBL29857237 0.78 ALDH1A1 (0.56) CNR2NPC1RAB9AKMT2AMEN1

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
CN-115894481-A Nitrogen-containing heteroaryl compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
US-7208629-B2 5′-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-04-24 US disclosed
US-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 US disclosed
EP-1435936-A1 5'-CARBAMOYL-1,1-BIPHENYL-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032972-A1 5’-CARBAMOYL-1,1-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 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-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK4, GRK4, NR4A1 MAP2K1 443/4885CNR2 25/4885NPC1 2987/4885

“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.