SCHEMBL1003474

SCHEMBL1003474

Cc1ccc2oc(N3CCNc4ccccc43)nc2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
AVPR1A P37288 4/20 0.38
PTPN11 Q06124 1/20 0.35
HTR6 P50406 4/20 0.34
AVPR2 P30518 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
BRD4 O60885 1/20 0.31
HTR3A P46098 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1006726 0.82 PIM1 (0.42) PIM1PTPN11HTR6HTR3A
SCHEMBL1003473 0.76 TOP2A (0.45) PIM1PTPN11HTR3AHPGD
SCHEMBL3984179 0.74 HTR3A (0.35) HTR6HTR3A
SCHEMBL1005458 0.68 HTR3A (0.70) HTR3A
Hydrochloric Acid SCHEMBL1005035 0.67 HTR3A (0.69) HTR3A
SCHEMBL1005780 0.67 HTR3A (0.49) HTR3A
SCHEMBL1005781 0.67 HTR3A (0.49) HTR3A
SCHEMBL1006741 0.67 HTR3A (0.49) HTR3A
SCHEMBL3984732 0.66 ELANE (0.52) HPGD
SCHEMBL28510189 0.66 AVPR1A (0.52) PIM1AVPR1APTPN11AVPR2MKNK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A PIM1 4404/4885AVPR1A 584/4885PTPN11 4697/4885

“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.