SCHEMBL1394138

SCHEMBL1394138

NCC1CN(c2ccc(I)c(F)c2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.52
▸ CALML3 P27482 7/20 0.50
▸ MAOB P27338 4/20 0.44
▸ MAOA P21397 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ SDHA P31040 1/20 0.44
▸ BPTF Q12830 1/20 0.44
▸ GRM2 Q14416 2/20 0.43

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
SCHEMBL5917588 1.00 F10 (0.52) F10CALML3MAOBMAOALMNA
SCHEMBL1036374 1.00 F10 (0.52) F10CALML3MAOBMAOALMNA
SCHEMBL16701334 0.88 BPTF (0.57) F10CALML3MAOBMAOALMNA
SCHEMBL16701336 0.88 BPTF (0.57) F10CALML3MAOBMAOALMNA
SCHEMBL1035579 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL1557322 0.87 CALML3 (0.65) CALML3MAOBMAOALMNAPTGS1
SCHEMBL10196158 0.87 CALML3 (0.50) CALML3MAOBMAOALMNAPTGS1
SCHEMBL12157633 0.86 F10 (0.57) F10CALML3MAOBMAOALMNA
SCHEMBL592028 0.85 F10 (0.53) F10CALML3MAOBMAOALMNA
SCHEMBL592027 0.85 F10 (0.53) F10CALML3MAOBMAOALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442526-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF Melinta Subsidiary Corp. (US) 2019-02-20 — — EP disclosed
WO-2017200979-A1 TOPICAL FORMULATIONS OF BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF MELINTA THERAPEUTICS, INC. (US) 2017-11-23 — — WO disclosed
EP-3217974-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION Melinta Therapeutics, Inc. (US) 2017-09-20 — — EP disclosed
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — US disclosed
US-9422274-B2 Oxazolidinone derivatives and composition for preventing or treating hepatitis C containing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 — — US disclosed
WO-2016077818-A1 METHOD FOR TREATING, PREVENTING, OR REDUCING THE RISK OF SKIN INFECTION MELINTA THERAPEUTICS, INC. (US) 2016-05-19 — — WO disclosed
US-20150148386-A1 Oxazolidinone derivatives and composition for preventing or treating Hepatitis C containing the same POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2015-05-28 — — US disclosed
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS, INC. (US) 2015-03-12 — — US disclosed
EP-1660465-B1 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES MELINTA THERAPEUTICS INC (US) 2014-12-17 — — EP disclosed
US-8895741-B2 Process for the synthesis of biaryl oxazolidinones MELINTA THERAPEUTICS, INC. (US) 2014-11-25 — — US disclosed
WO-2006133397-A2 PROCESS FOR THE SYNTHESIS OF TRIAZOLES RIB-X PHARMACEUTICALS, INC. (US) 2006-12-14 — — WO disclosed
US-7148219-B2 Biaryl heterocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2006-12-12 — — US disclosed
US-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2006-11-23 — — US disclosed
EP-1660465-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES Rib-X Pharmaceuticals, Inc. (US) 2006-05-31 — — EP disclosed
EP-1656370-A2 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME Rib-X Pharmaceuticals, Inc. (US) 2006-05-17 — — EP disclosed
US-6969726-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-11-29 — — US disclosed
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-09-15 — — US disclosed
WO-2005019211-A2 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2005-03-03 — — WO disclosed
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same MELINTA SUBSIDIARY CORP. 2005-02-24 — — US disclosed
WO-2005012271-A2 PROCESS FOR THE SYNTHESIS OF BIARYL OXAZOLIDINONES RIB-X PHARMACEUTICALS, INC. (US) 2005-02-10 — — 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-20060264426-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF F10 4285/4885CALML3 3842/4885MAOB 994/4885
US-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF F10 4285/4885CALML3 3842/4885MAOB 994/4885
US-20050043317-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF F10 4285/4885CALML3 3842/4885MAOB 994/4885
US-20050203147-A1 Biaryl heterocyclic compounds and methods of making and using the same PCNA, AADAC, MIF F10 4285/4885CALML3 3842/4885MAOB 994/4885
US-20150148386-A1 Oxazolidinone derivatives and composition for preventing or treating Hepatitis C containing the same CYP7A1, CYP7B1, CYP3A7 F10 1979/4885CALML3 4426/4885MAOB 1597/4885

“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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