SCHEMBL4738829

SCHEMBL4738829

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ CYP19A1 P11511 1/20 0.35
▸ CYP1A2 P05177 4/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ DHPS P49366 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ CYP2C19 P33261 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.34
▸ LMNA P02545 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34

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) CYP1A2CYP3A4CYP2D6TSHRDHPS
SCHEMBL11990372 0.89 AR (0.39) CYP1A2CYP3A4CYP2D6TSHRMEN1
SCHEMBL14104167 0.89 KDM4E (0.35) MEN1CYP2C19KMT2ALMNAALDH1A1
SCHEMBL4743431 0.89 MAPK1 (0.40) PDE4BPDE4DCYP1A2CYP3A4CYP2D6
SCHEMBL4740912 0.89 ABCG2 (0.35) CYP1A2CYP3A4CYP2D6TSHRDHPS
SCHEMBL14103801 0.89 PIK3CA (0.43) CYP1A2CYP3A4CYP2D6TSHRMEN1
SCHEMBL14103886 0.88 ABCG2 (0.44) NR1I3CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL4574851 0.86 PRKCI (0.38) CYP2C19MAPK1CYP2C9PRKCISCN9A
SCHEMBL4740295 0.85 PTGS1 (0.40) MEN1CYP2C19KMT2AALDH1A1MAPK1
SCHEMBL4573992 0.84 MAPK1 (0.44) PDE4BPDE4DCYP2C19MAPK1CYP2C9

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 47 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-20120189589-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-20120189591-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-20120189708-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

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 NR1I3 3999/4885PDE4B 2326/4885PDE4D 1274/4885
US-20120189708-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS MATR3, COL2A1, TNNC1 NR1I3 3999/4885PDE4B 2326/4885PDE4D 1274/4885
US-20120189589-A1 COMPOSITIONS AND IMPROVED SOFT TISSUE REPLACEMENT METHODS MATR3, COL2A1, TNNC1 NR1I3 3999/4885PDE4B 2326/4885PDE4D 1274/4885
US-20120136011-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR MMP8, COL14A1, COL1A1 NR1I3 4511/4885PDE4B 631/4885PDE4D 711/4885
US-20120142684-A1 COMPOUNDS AND METHODS FOR SKIN REPAIR MMP8, COL14A1, COL1A1 NR1I3 4511/4885PDE4B 631/4885PDE4D 711/4885

“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.

Send feedback