SCHEMBL10197396

SCHEMBL10197396

CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(NC(C)=O)c4nnn(C)n4)cc3)c(F)c2)C(=O)O1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.55
▸ MAOB P27338 3/20 0.55
▸ CALML3 P27482 5/20 0.50
▸ PTGS1 P23219 2/20 0.50
▸ SDHA P31040 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL10196276 0.90 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL1393979 0.90 MAOA (0.56) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL10259497 0.90 MAOA (0.48) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL10196273 0.89 MAOA (0.48) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL3098261 0.89 MAOA (0.48) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL10197394 0.87 MAOA (0.55) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL2895216 0.84 MAOA (0.65) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL13809667 0.82 MAOA (0.65) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL1393690 0.82 MAOA (0.57) MAOAMAOBCALML3PTGS1SDHA
SCHEMBL3185536 0.82 MAOA (0.57) MAOAMAOBCALML3PTGS1SDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550783-B2 Biaryl heterocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-01-24 — — 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
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2014-03-13 — — US disclosed
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same RIB-X PHARMACEUTICALS, INC. 2012-01-12 — — US 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-20150072970-A1 BIARYL HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME PCNA, AADAC, MIF MAOA 872/4885MAOB 994/4885CALML3 3842/4885
US-20120010200-A1 Biaryl Heterocyclic Compounds And Methods Of Making And Using The Same PCNA, AADAC, MIF MAOA 872/4885MAOB 994/4885CALML3 3842/4885
US-20140073624-A1 Biaryl Heterocyclic Compounds and Methods of Making and Using the Same PCNA, AADAC, MIF MAOA 872/4885MAOB 994/4885CALML3 3842/4885

“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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