Sugi Predict

Sugi Predict / Compounds / SCHEMBL1336669

SCHEMBL1336669

SCHEMBL1336669

COc1ccc(N=Nc2c(O)c(C(C)(C)C)cc(C(C)(C)C)c2O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ MAPT P10636 6/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GALR3 O60755 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ ABCC1 P33527 1/20 0.39
▸ HSP90AA1 P07900 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
SCHEMBL11876401 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL11876393 0.86 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL1336732 0.83 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL11526027 0.81 RAB9A (0.47) ALDH1A1KDM4EMEN1KMT2ACYP1A2
SCHEMBL9817551 0.80 KMT2A (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8773786 0.78 PTGS2 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL8773780 0.78 PTGS2 (0.40) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL13021497 0.78 MEN1 (0.42) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL21956083 0.77 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21956082 0.77 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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-8425891-B2 UV-absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2013-04-23 — — US disclosed
US-20130032757-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2013-02-07 — — US disclosed
US-8323631-B2 UV-absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2012-12-04 — — US disclosed
US-20110272645-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS NOVARTIS AG (CH) 2011-11-10 — — US disclosed
US-8043607-B2 UV-absorbers for ophthalmic lens materials NOVARTIS AG (CH) 2011-10-25 — — US disclosed
US-20100012889-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS ALCON, INC. (CH) 2010-01-21 — — 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 (2 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-20110272645-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS CRYAB, DDT, CRYZ ALDH1A1 725/4885KDM4E 2236/4885MEN1 2815/4885
US-20100012889-A1 UV-ABSORBERS FOR OPHTHALMIC LENS MATERIALS CRYAB, DDT, CRYZ ALDH1A1 725/4885KDM4E 2236/4885MEN1 2815/4885

“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.