SCHEMBL4861203

SCHEMBL4861203

O=Cc1cc2c(I)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 6/20 0.52
PLAU P00749 2/20 0.47
F9 P00740 1/20 0.47
F10 P00742 1/20 0.47
SLC9A1 P19634 1/20 0.40
ICAM1 P05362 1/20 0.35
SELE P16581 1/20 0.35
GPR3 P46089 1/20 0.32
MPI P34949 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 1/20 0.31
MCL1 Q07820 1/20 0.30

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
SCHEMBL12095346 0.79 CYP2A6 (0.53) CYP2A6SLC9A1ICAM1SELEALDH1A1
SCHEMBL12095282 0.78 CYP2A6 (0.52) CYP2A6SLC9A1ICAM1SELEALDH1A1
SCHEMBL27252542 0.78 CA2 (0.53) CYP2A6ICAM1SELECA2ALDH1A1
SCHEMBL12095302 0.78 CYP2A6 (0.52) CYP2A6SLC9A1ICAM1SELEGPR3
SCHEMBL12683511 0.78 CYP2A6 (0.54) CYP2A6ICAM1SELEGPR3ALDH1A1
SCHEMBL3279792 0.74 SLC9A1 (0.50) CYP2A6SLC9A1ICAM1SELEMPI
SCHEMBL10757755 0.74 CYP2A6 (0.51) CYP2A6F9SLC9A1
SCHEMBL28086653 0.74 CA2 (0.55) CYP2A6SLC9A1CA2ALDH1A1ALOX15
SCHEMBL24857860 0.71 PLAU (0.56) CYP2A6PLAUF9F10SLC9A1
SCHEMBL12330261 0.71 PLAU (0.51) PLAUF9F10SLC9A1ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778932-B2 Dihydro-oxazolobenzodiazepinone compounds, a process for there preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2014-07-15 US disclosed
EP-2497774-B1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB (FR) 2013-10-16 EP disclosed
CN-102675341-A Dihydro-triazole and benzo two nitrogen heterocyclic ketones compound, processes for their preparation and pharmaceutical compositions comprising these compounds SERVIER LAB 2012-09-19 CN disclosed
WO-2012120206-A1 NOVEL DIHYDRO-OXAZOLOBENZODIAZEPINONE DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2012-09-13 WO disclosed
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EGIS GYOGYSZERGYAR NYRT (HU) 2012-09-13 US disclosed
EP-2497774-A1 Dihydro-oxazolobenzodiazepinone derivatives, processes for their preparation and pharmaceutical compositions comprising these compounds Les Laboratoires Servier (FR) 2012-09-12 EP disclosed
US-20080090860-A1 Retinoid x receptor modulators GARDINIER KEVIN M 2008-04-17 US disclosed
US-7348359-B2 Retinoid X receptor modulators ELI LILLY AND COMPANY (US) 2008-03-25 US disclosed
EP-1373240-B1 RETINOID X RECEPTOR MODULATORS LILLY CO ELI (US) 2005-06-15 EP disclosed
US-20040167160-A1 Retinoid x receptor modulators LIGAND PHARMACEUTICALS INCORPORATED 2004-08-26 US disclosed
EP-1373240-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-01-02 EP disclosed
WO-2002071827-A2 RETINOID X RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2002-09-19 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 (3 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-20040167160-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CYP2A6 87/4885PLAU 2556/4885F9 1911/4885
US-20080090860-A1 Retinoid x receptor modulators RXRA, RXRG, RXRB CYP2A6 102/4885PLAU 2336/4885F9 1857/4885
US-20120232065-A1 DIHYDRO-OXAZOLOBENZODIAZEPINONE COMPOUNDS, A PROCESS FOR THERE PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GRIN2C, GRIN2B, GRIN2A CYP2A6 179/4885PLAU 4669/4885F9 4495/4885

“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.