SCHEMBL13701031

SCHEMBL13701031

Cc1nncc2cc([N+](=O)[O-])ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPT P10636 4/20 0.44
NOS1 P29475 2/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 1/20 0.44
CYP19A1 P11511 1/20 0.43
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ACHE P22303 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39

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
SCHEMBL22912011 0.81 MAPT (0.44) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL22911980 0.81 HSD17B10 (0.44) CYP3A4ALDH1A1TDP1MAPTNOS1
SCHEMBL22911981 0.77 ALDH1A1 (0.47) ALDH1A1TDP1MAPTPOLBHTT
SCHEMBL9838085 0.75 ALDH1A1 (0.50) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL27278979 0.74 ALDH1A1 (0.49) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL14010958 0.73 MAPT (0.53) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL8404453 0.73 C1S (0.43) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL30095409 0.73 MAPT (0.53) TSHRCYP3A4ALDH1A1TDP1MAPT
SCHEMBL3296437 0.70 ALDH1A1 (0.51) CYP3A4ALDH1A1MAPTNOS1POLB
SCHEMBL3052068 0.69 MAPT (0.45) TSHRCYP3A4ALDH1A1TDP1MAPT

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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 US disclosed
US-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound FUJIFILM CORPORATION (JP) 2009-09-24 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-20090239982-A1 Ultraviolet Absorbent and Heterocyclic Compound CYP2A6, CYP2B6, XPO6 TSHR 3028/4885CYP3A4 94/4885ALDH1A1 1360/4885

“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.