SCHEMBL7587035

SCHEMBL7587035

Cc1cc([N+](=O)[O-])cc(C(N)=O)c1OC1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
MITF O75030 1/20 0.49
HTT P42858 1/20 0.49
CCR6 P51684 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP3A4 P08684 2/20 0.41
CYP19A1 P11511 4/20 0.40
PTGES O14684 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL25514832 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL5970657 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL5971702 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL27597666 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL17979933 0.74 KDM4E (0.53) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL11868351 0.73 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL7587024 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MAPTMITFRAB9A
SCHEMBL30597565 0.72 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL21051819 0.72 KMT2A (0.54) ALDH1A1SMN1; SMN2LMNAMAPTMITF
SCHEMBL5970835 0.71 NPBWR1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTKMT2A

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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain 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-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB ALDH1A1 784/4885SMN1; SMN2 610/4885LMNA 3069/4885

“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.