SCHEMBL5778905

SCHEMBL5778905

CSc1cccc2[nH]c(C(=O)O)c(-c3ccc(Cl)cc3)c12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.49
MAP2 P11137 4/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GPR17 Q13304 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MCL1 Q07820 1/20 0.38
RHEB Q15382 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
SCHEMBL5776292 0.83 ALDH1A1 (0.54) ALDH1A1HPGDMEN1KMT2A
SCHEMBL5779353 0.79 NPC1 (0.36) KDM4EALDH1A1HPGDMEN1HTT
SCHEMBL9816507 0.74 KDM4E (0.79) GPR35MAP2KDM4EALDH1A1HPGD
SCHEMBL18322288 0.69 MAP2 (0.53) GPR35MAP2KDM4EALDH1A1HPGD
SCHEMBL5778291 0.67 NPC1 (0.40) KDM4EALDH1A1HPGDMEN1GFER
SCHEMBL18919809 0.67 MCL1 (0.79) GPR35MAP2KDM4EALDH1A1HPGD
SCHEMBL16240660 0.67 RHEB (0.44) RHEB
Hydrochloric Acid SCHEMBL8414485 0.66 MCL1 (0.43) KDM4EALDH1A1GPR17MCL1
SCHEMBL14702793 0.66 GPR35 (1.00) GPR35MAP2KDM4EALDH1A1HPGD
SCHEMBL10962013 0.64 GPR35 (0.52) GPR35MAP2KDM4EALDH1A1HPGD

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 GPR35 109/4885MAP2 2864/4885KDM4E 4550/4885

“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.