Sugi Predict

Sugi Predict / Compounds / SCHEMBL1770090

SCHEMBL1770090

SCHEMBL1770090

Cc1nc2ccc([N+](=O)[O-])cc2nc1C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ HTT P42858 2/20 0.56
▸ CYP1A2 P05177 1/20 0.55
▸ TXNRD1 Q16881 1/20 0.55
▸ TXNRD3 Q86VQ6 1/20 0.55
▸ TXNRD2 Q9NNW7 1/20 0.55
▸ GUCY1B2 O75343 1/20 0.54
▸ GUCY1A2 P33402 1/20 0.54
▸ GUCY1A1 Q02108 1/20 0.54
▸ GUCY1B1 Q02153 1/20 0.54
▸ ALDH1A1 P00352 6/20 0.52
▸ TDP1 Q9NUW8 4/20 0.52
▸ TSHR P16473 3/20 0.52
▸ MAPT P10636 3/20 0.51
▸ CYP3A4 P08684 4/20 0.48
▸ POLB P06746 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ RAB9A P51151 2/20 0.48

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
SCHEMBL16309117 0.90 SMN1; SMN2 (0.54) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3
SCHEMBL11255802 0.88 SMN1; SMN2 (0.49) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3
SCHEMBL22288200 0.85 CYP1A2 (0.54) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3
SCHEMBL22288184 0.85 CYP1A2 (0.54) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3
SCHEMBL15197892 0.84 CYP1A2 (0.58) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3
SCHEMBL18082976 0.83 KMT2A (0.56) SMN1; SMN2CYP1A2ALDH1A1TDP1MAPT
SCHEMBL18082977 0.83 KMT2A (0.56) SMN1; SMN2CYP1A2ALDH1A1TDP1MAPT
SCHEMBL19921742 0.83 KMT2A (0.56) SMN1; SMN2CYP1A2ALDH1A1TDP1MAPT
SCHEMBL1259529 0.82 GUCY1B2 (0.59) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3
SCHEMBL19213934 0.82 MAPT (0.51) SMN1; SMN2HTTCYP1A2TXNRD1TXNRD3

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101429167-B Process for producing novel cadmium ion artificial antigen chelating agent UNIV ZHEJIANG FORESTRY 2012-06-06 — — CN claimed
CN-101597266-A The preparation of the synthetic and nickel monoclonal antibody of nickel-ion artificial antigen chelant UNIV ZHEJIANG FORESTRY (CN) 2009-12-09 — — CN claimed
CN-101429167-A Process for producing novel cadmium ion artificial antigen chelating agent UNIV ZHEJIANG FORESTRY (CN) 2009-05-13 — — CN claimed
CN-101429167-B Process for producing novel cadmium ion artificial antigen chelating agent UNIV ZHEJIANG FORESTRY 2012-06-06 — — CN disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 — — US disclosed
CN-101970414-A 11 beta-hydroxysteroid dehydrogenase inhibitors STERIX LTD 2011-02-09 — — CN disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 — — EP disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 — — US disclosed
CN-101597266-A The preparation of the synthetic and nickel monoclonal antibody of nickel-ion artificial antigen chelant UNIV ZHEJIANG FORESTRY (CN) 2009-12-09 — — CN disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 — — WO disclosed
CN-101429167-A Process for producing novel cadmium ion artificial antigen chelating agent UNIV ZHEJIANG FORESTRY (CN) 2009-05-13 — — CN disclosed
US-20070244108-A1 Phenylsulfonamide Derivatives for Use as 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2007-10-18 — — US disclosed
US-7230020-B2 11β-hydroxysteroid dehydrogenase inhibitors STERIX LIMITED (GB) 2007-06-12 — — US disclosed
EP-1756078-A1 PHENYLSULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-02-28 — — EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 — — WO disclosed
EP-1675844-A1 PHENYL CARBOXAMIDE AND SULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE Sterix Limited (GB) 2006-07-05 — — EP disclosed
WO-2005103023-A1 PHENYLSULFONAMIDE DERIVATIVES FOR USE AS 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2005-11-03 — — WO 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
US-4540693-A Thiocyanatoquinoxaline compounds with immunomodulating activity NORWICH EATON PHARMACEUTICALS, INC. (US) 1985-09-10 — — 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 (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-20050227987-A1 11beta-hydroxysteroid dehydrogenase inhibitors HSD3B1, HSD3B2, HSD17B3 SMN1; SMN2 4243/4885HTT 4652/4885CYP1A2 105/4885
US-20070244108-A1 Phenylsulfonamide Derivatives for Use as 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 SMN1; SMN2 3422/4885HTT 3580/4885CYP1A2 79/4885
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 SMN1; SMN2 2765/4885HTT 3612/4885CYP1A2 196/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 SMN1; SMN2 4612/4885HTT 4373/4885CYP1A2 262/4885

“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.