SCHEMBL6903592

SCHEMBL6903592

NC(=S)c1cccc2cccc([N+](=O)[O-])c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ GPR35 Q9HC97 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ PLAU P00749 1/20 0.44
▸ TYMS P04818 1/20 0.43
▸ TSHR P16473 1/20 0.42
▸ CTSD P07339 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALPL P05186 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6792974 0.85 TSHR (0.51) ALDH1A1GPR35PLAUTYMSTSHR
SCHEMBL1206488 0.80 CTSD (0.58) ALDH1A1GPR35PLAUCTSDMEN1
SCHEMBL2870921 0.79 TSHR (0.62) ALDH1A1GPR35TSHRCTSDMEN1
SCHEMBL11823030 0.79 GPR35 (0.47) ALDH1A1GPR35PDE10APLAUTSHR
SCHEMBL23909592 0.78 TSHR (0.47) ALDH1A1GPR35PDE10ATYMSTSHR
SCHEMBL1784383 0.78 TSHR (0.65) ALDH1A1TSHRMEN1GAAKMT2A
SCHEMBL27966670 0.78 GPR35 (0.46) ALDH1A1GPR35PLAUTSHRCTSD
SCHEMBL12920010 0.78 TSHR (0.51) ALDH1A1GPR35TSHRCTSDMEN1
SCHEMBL31249012 0.78 GPR35 (0.46) ALDH1A1GPR35PLAUTSHRCTSD
SCHEMBL187697 0.78 ALDH1A1 (0.61) ALDH1A1GPR35PDE10ATYMSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002032856-A9 INSECTICIDAL 1,8-NAPHTHALENEDICARBOXAMIDES DU PONT (US) 2004-04-08 — — WO disclosed
US-20040053786-A1 Insecticidal 1,8-naphthalenedicarboxamides E.I. DU PONT DE NEMOURS AND COMPANY 2004-03-18 — — US disclosed
EP-1326827-A2 INSECTICIDAL 1,8-NAPHTHALENEDICARBOXAMIDES E. I. du Pont de Nemours and Company (US) 2003-07-16 — — EP disclosed
WO-2002032856-A2 INSECTICIDAL 1,8-NAPHTHALENEDICARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-04-25 — — 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 (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-20040053786-A1 Insecticidal 1,8-naphthalenedicarboxamides DDT, NIT2, ACHE ALDH1A1 994/4885GPR35 3895/4885PDE10A 1472/4885

“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.

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