SCHEMBL5756341

SCHEMBL5756341

N=C(N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
ABCC4 O15439 1/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
PTGS1 P23219 1/20 0.57
HTT P42858 1/20 0.57
WDR5 P61964 1/20 0.54
TAAR1 Q96RJ0 1/20 0.52
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
FFAR1 O14842 2/20 0.44
PRSS1 P07477 1/20 0.44

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
SCHEMBL1238345 0.86 HTR3E (0.57) LMNAGAAHTTKMT2AIDO1
Hydrochloric Acid SCHEMBL183500 0.84 IDO1 (0.56) KMT2AIDO1HTR3EHTR3BHTR3A
SCHEMBL13673467 0.83 PLA2G10 (0.53) LMNAKMT2AMEN1IDO1HTR3E
Bicarbonate SCHEMBL6989215 0.80 CES1 (0.56) KMT2AMEN1IDO1ALDH1A1HTR3E
SCHEMBL1395755 0.78 LMNA (0.69) LMNAABCC4GAATSHRPTGS1
SCHEMBL13673488 0.78 LTA4H (0.57) TSHRFFAR1
Acetic Acid SCHEMBL3665413 0.77 CES1 (0.52) TSHRKMT2AMEN1IDO1ALDH1A1
Hydrochloric Acid SCHEMBL21382514 0.77 LMNA (0.67) LMNAABCC4GAATSHRPTGS1
SCHEMBL16275249 0.77 NOS1 (0.48) IDO1HTR3EHTR3BHTR3AHTR3D
Biphenyl SCHEMBL212324 0.75 WDR5 (0.67) LMNAWDR5TAAR1KMT2AIDO1

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
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

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 LMNA 3793/4885ABCC4 845/4885GAA 2468/4885

“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.