SCHEMBL4740912

SCHEMBL4740912

N#Cc1ccc(Oc2nc(-c3cccc(Br)c3)nc3ccsc23)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 3/20 0.35
▸ CYP1A2 P05177 6/20 0.35
▸ CYP3A4 P08684 5/20 0.35
▸ CYP2D6 P10635 4/20 0.35
▸ TSHR P16473 4/20 0.35
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ CLK4 Q9HAZ1 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PRKCI P41743 2/20 0.34
▸ DHPS P49366 2/20 0.34
▸ USP2 O75604 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ ICMT O60725 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL14104079 0.90 CYP1A2 (0.36) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL11990372 0.89 AR (0.39) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4743431 0.89 MAPK1 (0.40) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14103801 0.89 PIK3CA (0.43) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4738829 0.89 NR1I3 (0.40) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14103886 0.88 ABCG2 (0.44) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14103795 0.87 L3MBTL1 (0.39) ABCG2ALDH1A1MAPK1DHPSKDM4E
SCHEMBL14104170 0.86 MAPT (0.36) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL14103758 0.85 ABCG2 (0.43) ABCG2CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4740295 0.85 PTGS1 (0.40) ABCG2MEN1KMT2ACYP2C19ALDH1A1

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO claimed
EP-2814526-B1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN INC (US) 2016-11-02 — — EP disclosed
US-9334262-B2 Methods of treating soft tissue defects ALLERGAN, INC. (US) 2016-05-10 — — US disclosed
US-9334262-B2 Methods of treating soft tissue defects ALLERGAN, INC. (US) 2016-05-10 — — US disclosed
US-9005605-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-04-14 — — US disclosed
US-9005605-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-04-14 — — US disclosed
US-8926963-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-01-06 — — US disclosed
US-8926963-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2015-01-06 — — US disclosed
US-8900571-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-12-02 — — US disclosed
US-8900571-B2 Compositions and soft tissue replacement methods ALLERGAN, INC. (US) 2014-12-02 — — US disclosed
US-20120189708-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2012-07-26 — — US disclosed
US-20120189708-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2012-07-26 — — US disclosed
US-20120189591-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2012-07-26 — — US disclosed
US-20120189589-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS ALLERGAN, INC. (US) 2012-07-26 — — US disclosed
US-20120142684-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2012-06-07 — — US disclosed
US-20120142684-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2012-06-07 — — US disclosed
US-20120136011-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2012-05-31 — — US disclosed
US-20120136011-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR ALLERGAN, INC. (US) 2012-05-31 — — US disclosed
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — WO disclosed
WO-2008092861-A1 BICYCLIC DERIVATIVES AS EP4 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-07 — — 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 (5 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-20120189591-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS MATR3, COL2A1, TNNC1 ABCG2 3198/4885CYP1A2 4505/4885CYP3A4 4697/4885
US-20120189708-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS MATR3, COL2A1, TNNC1 ABCG2 3198/4885CYP1A2 4505/4885CYP3A4 4697/4885
US-20120189589-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS MATR3, COL2A1, TNNC1 ABCG2 3198/4885CYP1A2 4505/4885CYP3A4 4697/4885
US-20120136011-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR MMP8, COL14A1, COL1A1 ABCG2 4302/4885CYP1A2 4326/4885CYP3A4 4691/4885
US-20120142684-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR MMP8, COL14A1, COL1A1 ABCG2 4302/4885CYP1A2 4326/4885CYP3A4 4691/4885

“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.

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