SCHEMBL6050237

SCHEMBL6050237

Cc1cc(C(=O)CCCl)no1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
ALDH1A1 P00352 5/20 0.49
GAA P10253 4/20 0.49
EGFR P00533 1/20 0.49
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 2/20 0.46
HTT P42858 2/20 0.46
GLA P06280 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
LMNA P02545 4/20 0.43
MITF O75030 1/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL19101404 0.83 MAPT (0.49) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL6291719 0.79 MAPT (0.52) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL12261481 0.79 MAPT (0.52) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL11665039 0.77 ELANE (0.49) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL14548859 0.77 MAPT (0.50) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL2629427 0.77 MAPT (0.50) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL3579787 0.77 MAPT (0.50) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL6133225 0.76 MAPT (0.53) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL23727943 0.75 STING1 (0.43) MAPTALDH1A1GAAEGFRNPC1
SCHEMBL52290 0.74

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
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

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 MAPT 4274/4885ALDH1A1 942/4885GAA 1669/4885

“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.