SCHEMBL5758499

SCHEMBL5758499

N=C(N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.61
TAAR1 Q96RJ0 1/20 0.50
PIK3CA P42336 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
MAPK8 P45983 1/20 0.44
MAOB P27338 3/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
PLAU P00749 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
KIF11 P52732 1/20 0.42
KMT2A Q03164 1/20 0.42
GRIN2B Q13224 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40

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
SCHEMBL4849471 0.80 IDO1 (0.58) IDO1TAAR1HDAC1HDAC8MAOB
SCHEMBL14109178 0.79 IDO1 (0.52) IDO1TAAR1PIK3CAHDAC1HDAC8
SCHEMBL2700476 0.79 HTR1D (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27739642 0.79 IDO1 (0.52) IDO1TAAR1PIK3CAHDAC1HDAC8
SCHEMBL1567951 0.79 CA2 (0.57) IDO1TAAR1PIK3CAHDAC1HDAC8
Hydrochloric Acid SCHEMBL4715372 0.79 IDO1 (0.59) IDO1TAAR1HDAC1HDAC8MAOB
Hydrochloric Acid SCHEMBL30018530 0.78 CA2 (0.55) IDO1TAAR1PIK3CAHDAC1HDAC8
SCHEMBL1621311 0.77 TAAR1 (0.56) IDO1TAAR1MAPK8MAOBHTR3E
SCHEMBL3773147 0.76 IDO1 (1.00) IDO1
SCHEMBL562721 0.76 IDO1 (0.49) IDO1TAAR1PIK3CAHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194144-B1 ANTIBACTERIAL COMPOUNDS AFFINIUM PHARM INC (CA) 2006-11-02 EP disclosed
US-6673941-B2 Disubstituted imidazoles useful in the treatment of bacterial infections AFFINIUM PHARMACEUTICALS, INC. (CA) 2004-01-06 US disclosed
US-20030149089-A1 Antibacterial compounds SMITHKLINE BEECHAM CORPORATION 2003-08-07 US disclosed
US-6559172-B1 Treatment of bacterial infections, particularly through the inhibition of FAB I. and antiobiotics SMITHKLINE BEECHAM CORPORATION 2003-05-06 US disclosed
EP-1194144-A4 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-08-07 EP disclosed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP disclosed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 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 (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-20030149089-A1 Antibacterial compounds MRPL21, MRPS28, SPOUT1 IDO1 1766/4885TAAR1 1550/4885PIK3CA 3066/4885

“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.