SCHEMBL5126033

SCHEMBL5126033

Cc1nc(N[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CCNT1 O60563 4/20 0.38
CDK9 P50750 4/20 0.38
CDK2 P24941 2/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
MAPKAPK2 P49137 1/20 0.38
EGFR P00533 1/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NPC1 O15118 1/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL5126036 1.00 GSR (0.40) GSRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL5130420 1.00 GSR (0.40) GSRLMNAHPGDSMN1; SMN2ALDH1A1
SCHEMBL5972419 0.83 EGFR (0.40) GSRALDH1A1CCNT1CDK9CDK2
SCHEMBL5972411 0.83 EGFR (0.40) GSRALDH1A1CCNT1CDK9CDK2
SCHEMBL5123860 0.81 MAPT (0.45) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL5123863 0.81 MAPT (0.45) LMNASMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL5120767 0.80 MAPT (0.39) HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL5120760 0.80 MAPT (0.39) HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL5126018 0.78 MAPT (0.51) SMN1; SMN2ALDH1A1CCNT1CDK9CDK2
SCHEMBL5126008 0.78 MAPT (0.51) SMN1; SMN2ALDH1A1CCNT1CDK9CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058383-A1 Androgen Receptor Modulators KARO BIO AB (SE) 2008-03-06 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-20080058383-A1 Androgen Receptor Modulators NR5A1, ESRRA, AR GSR 755/4885LMNA 2695/4885HPGD 326/4885

“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.