SCHEMBL3312910

SCHEMBL3312910

CCc1ccc2c(c1)c(=O)n(CC(=O)O)c(=O)n2CC(=O)N(Cl)c1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTGDR2 Q9Y5Y4 9/20 0.35
PTGS1 P23219 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TP53 P04637 1/20 0.35
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORC P51449 1/20 0.34
RORB Q92753 1/20 0.34
PARG Q86W56 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
SCHEMBL3311492 0.89 PTGDR2 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL3314285 0.86 PTGDR2 (0.39) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3309846 0.86 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3316099 0.83 AKR1B1 (0.48) ALDH1A1KDM4EPTGDR2PTGS1
SCHEMBL3313296 0.79 CNR2 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3311370 0.79 CMA1 (0.44) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3314289 0.75 S1PR2 (0.42) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL3312906 0.74 TP53 (0.51) KDM4EMEN1KMT2AMAPTTP53
SCHEMBL9045063 0.69 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTPTGDR2HPGD
SCHEMBL9049803 0.62 HDAC1 (0.53) KDM4EKMT2AMAPTPTGDR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2014-07-03 US disclosed
US-8633211-B2 Bicyclic organic compounds suitable for the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2014-01-21 US disclosed
US-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2010-05-06 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-20100113774-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 ALDH1A1 1798/4885KDM4E 3052/4885MEN1 3098/4885
US-20140187550-A1 BICYCLIC ORGANIC COMPOUNDS SUITABLE FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS S1PR3, S1PR1, S1PR2 ALDH1A1 1837/4885KDM4E 2815/4885MEN1 3202/4885

“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.