Sugi Predict

Sugi Predict / Compounds / SCHEMBL915475

SCHEMBL915475

SCHEMBL915475

COc1cc([N+](=O)[O-])c(C=NNC(N)=NOS(=O)(=O)c2ccc(C)cc2)c(Cl)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALDH1A1 P00352 10/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ LMNA P02545 6/20 0.40
▸ HTT P42858 4/20 0.40
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ F2 P00734 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL915059 0.89 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL917009 0.85 MAPT (0.45) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL915454 0.83 MAPT (0.45) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL915085 0.83 MAPT (0.44) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL915473 0.82 MAPT (0.51) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL5573564 0.82 POLB (0.45) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL915550 0.82 MAPT (0.47) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL915570 0.81 ALDH1A1 (0.53) MAPTCYP2C9CYP2C19ALDH1A1KMT2A
SCHEMBL914937 0.80 MAPT (0.47) MAPTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL914900 0.80 MAPT (0.43) MAPTCYP2C9CYP2C19CYP1A2CYP3A4

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
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 — — US claimed
US-9227927-B2 Method of treating inflammation ANAMAR AB (SE) 2016-01-05 — — US disclosed
US-20130295009-A1 METHOD OF TREATING INFLAMMATION HPF IP HOLDING S.A. (LU) 2013-11-07 — — US disclosed
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS ANAMAR AB (SE) 2012-07-12 — — US disclosed
US-8148429-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-04-03 — — US disclosed
US-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS ACURE PHARMA AB (SE) 2011-01-20 — — 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 (3 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-20110015437-A1 USE OF BENZYLIDENEAMINOGUANIDINES AND HYDROXYGUANIDINES AS MELANOCORTIN RECEPTOR LIGANDS MC1R, MC5R, MCHR1 MAPT 4502/4885CYP2C9 279/4885CYP2C19 315/4885
US-20130295009-A1 METHOD OF TREATING INFLAMMATION MC2R, MC5R, MC1R MAPT 3465/4885CYP2C9 1110/4885CYP2C19 873/4885
US-20120178820-A1 METHOD FOR TREATING ARTHRITIS MC5R, MC1R, MC2R MAPT 3995/4885CYP2C9 849/4885CYP2C19 944/4885

“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.