SCHEMBL4207702

SCHEMBL4207702

O=C(Nc1ccc(Br)cc1C(=O)O)c1ccc(OCc2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 1/20 0.54
RAB9A P51151 3/20 0.53
AKR1C2 P52895 3/20 0.53
AKR1C1 Q04828 3/20 0.53
LRRK2 Q5S007 3/20 0.53
NPC1 O15118 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
HTT P42858 1/20 0.50
ADAM17 P78536 1/20 0.49
PTGES O14684 1/20 0.49
KCNK2 O95069 1/20 0.48
KCNK10 P57789 1/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL6352462 0.90 AKR1C2 (0.68) GPR132AKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6351828 0.88 PTGES (0.62) RAB9AAKR1C2AKR1C1NPC1MEN1
SCHEMBL4217129 0.87 AKR1C2 (0.54) RAB9AAKR1C2AKR1C1NPC1MEN1
SCHEMBL4208795 0.82 NR4A2 (0.62) RAB9AAKR1C2AKR1C1LRRK2NPC1
SCHEMBL4213146 0.82 AKR1C2 (0.61) RAB9AAKR1C2AKR1C1LRRK2NPC1
SCHEMBL6349385 0.80 AKR1C2 (0.71) RAB9AAKR1C2AKR1C1NPC1MEN1
SCHEMBL4209179 0.80 AKR1C2 (0.56) RAB9AAKR1C2AKR1C1NPC1MEN1
SCHEMBL4211236 0.80 MAPT (0.59) RAB9AAKR1C2AKR1C1LRRK2NPC1
SCHEMBL4206544 0.80 NR4A2 (0.64) RAB9AAKR1C2AKR1C1NPC1SMN1; SMN2
SCHEMBL6358257 0.79 MAOB (0.58) AKR1C2AKR1C1MEN1KMT2AAKR1C4

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-20090247637-A1 Novel Anthranilic Acid Derivatives DEHMLOW HENRIETTA 2009-10-01 US claimed
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 GPR132 4507/4885RAB9A 3062/4885AKR1C2 3012/4885
US-20090247637-A1 Novel Anthranilic Acid Derivatives GPR84, GPR88, HCAR1 GPR132 28/4885RAB9A 1445/4885AKR1C2 1087/4885

“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.