SCHEMBL6583532

SCHEMBL6583532

NC(=O)ONc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
GAA P10253 2/20 0.62
ALDH1A1 P00352 2/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPT P10636 3/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45

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
SCHEMBL4292232 0.85 KDM4E (0.56) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL6750341 0.82 KDM4E (0.53) KDM4EGAAALDH1A1POLBHPGD
SCHEMBL27459826 0.78 HPGD (0.55) KDM4EGAAALDH1A1POLBHPGD
SCHEMBL79802 0.77 KDM4E (1.00) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL3293384 0.76 KDM4E (0.70) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL1600584 0.76 KDM4E (0.76) KDM4EGAAALDH1A1POLBSMN1; SMN2
Hydrogen Sulfide SCHEMBL27471544 0.76 KDM4E (0.96) KDM4EGAAALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL28063235 0.75 KDM4E (0.73) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL3070293 0.75 KDM4E (0.67) KDM4EGAAALDH1A1POLBSMN1; SMN2
SCHEMBL28087177 0.74 ALDH1A1 (0.54) KDM4EGAAALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259875-A1 Amine derivatives BAYER HEALTHCARE AG (DE) 2004-12-23 US disclosed
EP-1414788-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS Bayer HealthCare AG (DE) 2004-05-06 EP disclosed
WO-2003089404-A1 NAPHTHALENE AMIDES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2003-10-30 WO disclosed
US-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 US disclosed
WO-2003014064-A1 NAPHTHYLUREA AND NAPHTHYLACETAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) ANTAGONISTS BAYER HEALTHCARE AG (DE) 2003-02-20 WO 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 (2 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-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 KDM4E 1005/4885GAA 3159/4885ALDH1A1 1856/4885
US-20040259875-A1 Amine derivatives AVPR1A, GRIN1, OPRL1 KDM4E 3941/4885GAA 4358/4885ALDH1A1 714/4885

“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.