Sugi Predict

Sugi Predict / Compounds / SCHEMBL6370768

SCHEMBL6370768

SCHEMBL6370768

CSc1cc(Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 6/20 0.53
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SLC6A4 P31645 2/20 0.41
▸ PDE7B Q9NP56 3/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ PDE4B Q07343 1/20 0.38
▸ PDE4D Q08499 1/20 0.38
▸ PGK1 P00558 1/20 0.38
▸ VCAM1 P19320 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL8447032 0.87 SLC6A4 (0.53) PDE7ATSHRSLC6A4PDE7BTDP1
SCHEMBL8944473 0.85 ALDH1A1 (0.45) PDE7ATSHRMAPK1SLC6A4TDP1
SCHEMBL11595320 0.83 PDE7A (0.56) PDE7ATSHRMAPK1PDE7BTXNRD1
SCHEMBL6371711 0.83 ALDH1A1 (0.42) PDE7AMAPK1TXNRD1TXNRD3TXNRD2
SCHEMBL15358170 0.79 PDE7A (0.49) PDE7ATSHRMAPK1SLC6A4PDE7B
SCHEMBL6949538 0.79 MAPT (0.50) PDE7ATSHRSLC6A4TDP1ALDH1A1
SCHEMBL30954088 0.78 ALDH1A1 (0.45) PDE7ATSHRMAPK1SLC6A4HSD17B10
SCHEMBL9525231 0.78 ALDH1A1 (0.45) PDE7ATSHRMAPK1SLC6A4HSD17B10
SCHEMBL3240210 0.78 TSHR (0.56) PDE7ATSHRMAPK1TXNRD1TXNRD3
SCHEMBL29783588 0.78 TSHR (0.56) PDE7ATSHRMAPK1TXNRD1TXNRD3

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-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 — — US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 — — US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 — — US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 — — US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 — — 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 (4 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 PDE7A 46/4885TSHR 369/4885MAPK1 788/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 PDE7A 46/4885TSHR 369/4885MAPK1 788/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 PDE7A 46/4885TSHR 369/4885MAPK1 788/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 PDE7A 27/4885TSHR 344/4885MAPK1 1620/4885

“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.