SCHEMBL109496

SCHEMBL109496

NCc1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.47
DPP4 P27487 2/20 0.46
LOXL2 Q9Y4K0 2/20 0.44
IDO1 P14902 2/20 0.43
AGXT P21549 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
TAAR1 Q96RJ0 3/20 0.41

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
SCHEMBL29532410 1.00 MPO (0.47) MPODPP4LOXL2IDO1AGXT
SCHEMBL8337085 0.86 TAAR1 (0.40) MPODPP4LOXL2IDO1AGXT
SCHEMBL441642 0.83 TAAR1 (0.54) MPODPP4IDO1AGXTPSEN1
SCHEMBL1398042 0.82 MPO (0.48) MPODPP4LOXL2IDO1AGXT
Hydrochloric Acid SCHEMBL2212433 0.81 KMT2A (0.53) MPODPP4IDO1AGXTPSEN1
SCHEMBL113852 0.80 IDO1 (0.59) MPOLOXL2IDO1AGXTALDH1A1
SCHEMBL26625794 0.80 IDO1 (0.59) MPOLOXL2IDO1AGXTALDH1A1
SCHEMBL7700255 0.79 CA3 (0.46) MPODPP4IDO1AGXTPSEN1
SCHEMBL5252643 0.79 MPO (0.49) MPODPP4IDO1AGXTPSEN1
SCHEMBL29876674 0.78 CYP2A6 (0.46) MPOLOXL2IDO1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
CN-105505128-A Near-infrared light response self-repairing coating and preparation method thereof NANJING UNIVERSITY OF TECHNOLOGY 2016-04-20 CN claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-7553911-B2 Coated polydivinylbenzene beads JORDI FLP (US) 2009-06-30 US claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
US-20080255269-A1 Polystyrene divinylbenzene copolymer having a fluorinated, amidated surface; high performance liquid chromatography tationary phase JORDI HOWARD C 2008-10-16 US claimed
US-7109330-B2 Purine inhibitors of cyclin dependent kinase 2 and IκB-α CV THERAPEUTICS, INC. (US) 2006-09-19 US claimed
EP-1155001-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2003-05-28 EP claimed
EP-1226435-A1 AXOR35, A G-PROTEIN COUPLED RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2002-07-31 EP claimed
US-6417195-B1 LIBRARIES AND COMBINATORIAL CHEMISTRY LION BIOSCIENCE AG (DE) 2002-07-09 US claimed
EP-1155001-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2001-11-21 EP claimed
WO-2001033221-A1 AXOR35, A G-PROTEIN COUPLED RECEPTOR SMITHKLINE BEECHAM CORPORATION (US) 2001-05-10 WO claimed
WO-2000050406-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES LION BIOSCIENCE AG (DE) 2000-08-31 WO claimed
EP-0863877-A4 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INST (US) 1999-07-21 EP claimed
US-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US claimed
EP-0863877-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1998-09-16 EP claimed
WO-1997016428-A1 ISOQUINOLINE DERIVATIVES AND ISOQUINOLINE COMBINATORIAL LIBRARIES TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-05-09 WO claimed

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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MPO 216/4885DPP4 4105/4885LOXL2 113/4885

“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.