Sugi Predict

Sugi Predict / Compounds / SCHEMBL896533

SCHEMBL896533

SCHEMBL896533

O=[N+]([O-])c1cn[c]c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ TSHR P16473 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ VCAM1 P19320 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL1531216 0.78 CYP19A1 (0.38) ALDH1A1CYP19A1TSHRLMNAKMT2A
SCHEMBL11724286 0.76 TSHR (0.39) ALDH1A1HSD17B10TDP1CYP19A1TSHR
SCHEMBL1636797 0.76 TSHR (0.48) ALDH1A1HSD17B10TDP1CYP19A1TSHR
SCHEMBL11730933 0.76 LMNA (0.39) ALDH1A1CYP19A1TSHRLMNAKMT2A
SCHEMBL1036242 0.76 ALDH1A1 (0.37) ALDH1A1TDP1CYP19A1TSHRLMNA
SCHEMBL7171038 0.72 VCAM1 (0.44) ALDH1A1TDP1CYP19A1TSHRLMNA
SCHEMBL1034363 0.72 TDP1 (0.41) ALDH1A1TDP1TSHRLMNAKMT2A
SCHEMBL6829052 0.72 HTT (0.41) ALDH1A1TDP1CYP19A1TSHRLMNA
SCHEMBL909500 0.72 ALDH1A1 (0.56) ALDH1A1HSD17B10TDP1CYP19A1TSHR
SCHEMBL10552246 0.69 IDO1 (0.36) ALDH1A1CYP19A1TSHRLMNAGPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 — — US claimed
EP-2262794-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2010-12-22 — — EP claimed
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide BASF SE (DE) 2010-12-16 — — US claimed
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds BASF SE (DE) 2010-09-30 — — US claimed
WO-2009103650-A1 SULFONAMIDE COMPOUNDS AND THEIR USE AS FUNGICIDE BASF SE (DE) 2009-08-27 — — WO claimed
CN-108473499-B Novel pyrazolopyrimidine derivatives 诺华股份有限公司 2021-07-23 — — CN disclosed
US-8598176-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 — — US disclosed
US-8299262-B2 Pyridylmethyl-sulfonamide compounds BASF SE (DE) 2012-10-30 — — US disclosed
US-8258136-B2 Pyridazine compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-09-04 — — US disclosed
CN-101326176-B Pyridazine compound and use thereof SUMITOMO CHEMICAL CO 2012-05-30 — — CN disclosed
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED 2012-04-05 — — US disclosed
EP-2297134-A1 SUBSTITUTED PYRIDIN-4 -YL-METHYL SULFONAMIDES AS FUNGICIDES BASF SE (DE) 2011-03-23 — — EP disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 — — EP disclosed
US-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi BASF AKTIENGESELLSCHAFT (DE) 2008-06-05 — — US disclosed
WO-2007118844-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR CONTROLLING HARMFUL FUNGI AND COMPOSITIONS COMPRISING THEM BASF SE (DE) 2007-10-25 — — WO disclosed
EP-1828190-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLOÝ1,5-A¨PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 — — EP disclosed
EP-1828191-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-09-05 — — EP disclosed
WO-2006066818-A2 7-AMINO-6-HETARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THE USE THEREOF FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 — — WO disclosed
WO-2006066799-A1 7-AMINO-6-HETEROARYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINES AND TO THE USE THEREOF FOR COMBATING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-06-29 — — WO disclosed
US-4009168-A STABILIZERS FOR POLYOLEFINS UBE INDUSTRIES, LTD. (JA) 1977-02-22 — — 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-20080132412-A1 7-Amino-6-Heteroaryl-1,2,4-Triazolo[1,5-A]Pyrimidines and Their Use for Controlling Harmful Fungi HINT1, PRF1, ERG28 ALDH1A1 1649/4885HSD17B10 3339/4885TDP1 50/4885
US-20100317516-A1 Sulfonamide Compounds And Their Use As Fungicide STS, ARSA, CYP4X1 ALDH1A1 887/4885HSD17B10 2976/4885TDP1 2645/4885
US-20100249077-A1 Pyridylmethyl-Sulfonamide Compounds CBR3, CBR1, CBS ALDH1A1 1178/4885HSD17B10 1748/4885TDP1 4357/4885
US-20120083605-A1 PYRIDAZINE COMPOUND AND USE THEREOF PLPBP, PNPO, PDXK ALDH1A1 3397/4885HSD17B10 2330/4885TDP1 4290/4885

“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.