SCHEMBL6050433

SCHEMBL6050433

O=C(CCCl)c1cc(Cl)no1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.32
ALDH1A1 P00352 3/20 0.31
EGFR P00533 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL27864778 0.81 POLB (0.39) HCAR2ALDH1A1EGFRGAAALOX15
SCHEMBL10518950 0.79 GSK3B (0.38) HCAR2ALDH1A1ALOX15CRHBPHTT
SCHEMBL6050354 0.74
SCHEMBL3060309 0.74
SCHEMBL6490677 0.68 KMT2A (0.42) ALDH1A1GAA
SCHEMBL11899421 0.68 NOTUM (0.43) HCAR2ALDH1A1HTTPOLB
SCHEMBL6050237 0.67 MAPT (0.51) ALDH1A1EGFRGAAHTTSMN1; SMN2
SCHEMBL9819478 0.66 FABP4 (0.54) ALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL12922900 0.65 CHRNB2 (0.38) ALDH1A1ALOX15
SCHEMBL9990153 0.63 PPARA (0.44) ALDH1A1HTTPOLB

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-1414802-B1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2006-04-26 EP disclosed
US-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2004-09-09 US disclosed
EP-1414802-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003011830-A1 HETEROARYLHETEROALKYLAMINE DERIVATIVES AND THEIR USE AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2003-02-13 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-20040176422-A1 Heteroarylheteroalkylamine derivatives and their use as inhibitors of nitric oxide synthase NOS3, NOS1, NOS2 HCAR2 246/4885ALDH1A1 942/4885EGFR 4610/4885

“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.