SCHEMBL4010048

SCHEMBL4010048

Cc1coc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ CYP3A4 P08684 2/20 0.49
▸ CA12 O43570 2/20 0.48
▸ CA9 Q16790 2/20 0.48
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ACHE P22303 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ GABRP O00591 1/20 0.41
▸ GABRD O14764 1/20 0.41

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
SCHEMBL29947857 0.86 ALDH1A1 (0.52) PTPN1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL8189353 0.80 ALDH1A1 (0.49) PTPN1ALDH1A1TSHRTDP1CYP3A4
SCHEMBL4010077 0.77 PTPN1 (0.81) PTPN1ALDH1A1CA12CA9MAOA
SCHEMBL4924117 0.77 ALDH1A1 (0.56) PTPN1ALDH1A1TSHRTDP1CA12
SCHEMBL4013102 0.76 PTPN1 (0.54) PTPN1ALDH1A1CA12CA9MAOA
SCHEMBL4008145 0.76 MAOB (0.54) PTPN1ALDH1A1TDP1CYP3A4CA12
SCHEMBL27700646 0.76 PTPN1 (0.65) PTPN1ALDH1A1CA12CA9MAOA
SCHEMBL1997539 0.73 PTPN1 (1.00) PTPN1ALDH1A1CA12CA9MAOA
SCHEMBL8549418 0.73 HTR1A (0.56) PTPN1CA12CA9MAPTMEN1
SCHEMBL29954392 0.73 PTPN1 (1.00) PTPN1ALDH1A1CA12CA9MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 — — WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 — — WO disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 — — US disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 — — EP disclosed
US-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2005-10-13 — — US disclosed
WO-2005042513-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE STERIX LIMITED (GB) 2005-05-12 — — 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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 PTPN1 3632/4885ALDH1A1 378/4885TSHR 389/4885

“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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