SCHEMBL5774338

SCHEMBL5774338

COc1cc(Br)c2c(c1)cc1n2C(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
POLB P06746 1/20 0.36
EGFR P00533 5/20 0.33
XDH P47989 3/20 0.33
MAOB P27338 2/20 0.33
MAOA P21397 1/20 0.33
NFE2L2 Q16236 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5775060 0.80 NOTUM (0.44) NOTUM
SCHEMBL9261564 0.74 NOTUM (0.57) NOTUMPOLBGAASMN1; SMN2
SCHEMBL30231761 0.71 NPC1 (0.39) MAOBMAOANPC1PKMRAB9A
SCHEMBL9264812 0.71 NOTUM (0.57) NOTUMPOLBGAASMN1; SMN2
SCHEMBL2018386 0.69 NOTUM (0.43) NOTUMPOLBGAA
SCHEMBL9287309 0.67 NOTUM (0.51) NOTUMPOLBGAASMN1; SMN2
SCHEMBL5779065 0.64 PTGS2 (0.33) POLBMAOBMAOA
SCHEMBL9279199 0.64 NOTUM (0.56) NOTUMPOLB
SCHEMBL946355 0.61 NOTUM (0.62) NOTUMPOLBGAASMN1; SMN2
SCHEMBL9844702 0.61 NOTUM (0.62) NOTUMPOLBNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR NOTUM 2693/4885POLB 4066/4885EGFR 2969/4885

“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.