SCHEMBL5451110

SCHEMBL5451110

COc1ccc2cc(-c3ccc(-c4ccccc4)[nH]3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 4/20 0.62
MAPT P10636 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
CYP11B2 P19099 4/20 0.56
CYP11B1 P15538 3/20 0.56
CYP1A2 P05177 2/20 0.53
CYP2A6 P11509 1/20 0.53
HSD17B1 P14061 1/20 0.51
HSD17B2 P37059 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49

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
SCHEMBL17266914 0.86 RAB9A (0.47) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL17266978 0.82 MAP2K1 (0.61) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL22402247 0.82 CYP11B2 (0.77) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL1755086 0.82 CYP11B2 (0.77) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL23747205 0.79 CYP11B2 (0.78) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL5980264 0.79 CYP11B2 (0.73) NPC1RAB9AKDM4EMAPTMEN1
Methyl Alcohol SCHEMBL29235275 0.79 CYP11B2 (0.73) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL27945362 0.79 CYP11B2 (0.73) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL6310414 0.78 MAP2K1 (0.62) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL1429201 0.77 NPC1 (1.00) NPC1RAB9AKDM4EMAPTMEN1

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
US-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM WYETH (US) 2007-05-31 US disclosed
EP-1781641-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS Wyeth (US) 2007-05-09 EP disclosed
US-7186749-B2 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2007-03-06 US disclosed
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them WYETH (US) 2006-03-09 US disclosed
WO-2006023864-A1 PYRROLO-NAPHTHYL ACIDS AS PAI-1 INHIBITORS WYETH (US) 2006-03-02 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 (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-20070123495-A1 PYRROLO-NAPHTHYL ACIDS AND METHODS FOR USING THEM SERPINE1, SERPINC1, SERPINB1 NPC1 934/4885RAB9A 2657/4885KDM4E 4667/4885
US-20060052349-A1 Pyrrolo-naphthyl acids and methods for using them SERPINE1, SERPINC1, SERPINB1 NPC1 934/4885RAB9A 2657/4885KDM4E 4667/4885

“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.