SCHEMBL5350083

SCHEMBL5350083

CC(Nc1ccc(C(=O)O)cc1)c1ncc[nH]1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.52
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
SYK P43405 1/20 0.43
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HCAR3 P49019 3/20 0.40
TYK2 P29597 1/20 0.39
F7 P08709 1/20 0.39
AURKA O14965 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL4918641 0.83 FPR2 (0.47) FPR2KDM4EALDH1A1SYKADRA2A
SCHEMBL7427231 0.72 ALDH1A1 (0.49) KDM4EALDH1A1ADRA2AADRA2BADRA2C
SCHEMBL17213665 0.72 KDM4E (0.56) KDM4EALDH1A1ADRA2AADRA2CHCAR3
SCHEMBL1206403 0.71 ALDH1A1 (0.48) FPR2KDM4EALDH1A1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL17205819 0.71 KDM4E (0.54) KDM4EALDH1A1ADRA2AADRA2CHCAR3
SCHEMBL1663456 0.70 HCAR3 (0.55) KDM4EALDH1A1HCAR3TDP1
SCHEMBL23666720 0.70 FPR2 (0.57) FPR2KDM4EALDH1A1SYKADRA2A
SCHEMBL11259360 0.70 KDM4E (0.58) KDM4EALDH1A1TDP1
SCHEMBL15020339 0.69 MDM2 (0.47) FPR2
SCHEMBL8207306 0.69 ALDH1A1 (0.45) KDM4EALDH1A1ADRA2AADRA2BADRA2C

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-7300934-B2 Benzamide nitriles ROCHE PALO ALTO LLC (US) 2007-11-27 US disclosed
EP-1633701-A1 BENZAMIDE NITRILE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-03-15 EP disclosed
WO-2004106285-A1 BENZAMIDE NITRILE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-12-09 WO disclosed
US-20040248949-A1 Benzamide nitriles ROCHE PALO ALTO LLC 2004-12-09 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-20040248949-A1 Benzamide nitriles CTSK, CTSS, CMA1 FPR2 1353/4885KDM4E 3326/4885ALDH1A1 349/4885

“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.