SCHEMBL7607617

SCHEMBL7607617

CCCCCCN(CCO)Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
KCNH2 Q12809 1/20 0.49
POLB P06746 1/20 0.47
PYCR1 P32322 1/20 0.46
TSHR P16473 2/20 0.45
HSD17B10 Q99714 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CNR1 P21554 1/20 0.44
HTT P42858 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL4940669 0.88 ALDH1A1 (0.86) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL16140794 0.83 CYP1A2 (0.55) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL1205031 0.83 CYP1A2 (0.71) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
Nitrobenzene SCHEMBL28033286 0.80 CYP1A2 (0.59) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL7598139 0.79 SMN1; SMN2 (0.54) ALDH1A1LMNAMAPTSMN1; SMN2KCNH2
SCHEMBL7602000 0.78 TSHR (0.50) ALDH1A1LMNACYP1A2CYP2D6CYP2C9
SCHEMBL9415962 0.77 KCNH2 (0.57) MAPTKCNH2TSHRHSD17B10HTT
SCHEMBL9415961 0.77 KCNH2 (0.57) MAPTKCNH2TSHRHSD17B10HTT
SCHEMBL28943086 0.77 KCNH2 (0.57) MAPTKCNH2TSHRHSD17B10HTT
SCHEMBL10822735 0.77 KCNH2 (0.57) MAPTKCNH2TSHRHSD17B10HTT

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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 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-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 ALDH1A1 449/4885LMNA 1976/4885CYP1A2 20/4885

“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.