SCHEMBL2317810

SCHEMBL2317810

CCc1c(-c2ccc(OCCOC)cc2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ MMP9 P14780 1/20 0.32

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
SCHEMBL2318609 0.91 MAPT (0.41) ALDH1A1TSHRHTTSMN1; SMN2MAPT
SCHEMBL2316443 0.90 ESRRG (0.38) ALDH1A1TP53TSHRMAPK1HTT
SCHEMBL2321835 0.87 CA12 (0.42) KMT2AADORA2AADORA2BADORA1NR3C1
SCHEMBL2318721 0.83 MTOR (0.34) GAA
SCHEMBL16245259 0.81 PIK3CA (0.37) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL2317311 0.80 EED (0.34) TP53LMNA
SCHEMBL16245234 0.80 NR1H3 (0.36) ALDH1A1PTGS2SYK
SCHEMBL2317292 0.79 HTR6 (0.37) TP53MAPT
SCHEMBL1932784 0.78 PTGDR2 (0.34) ALDH1A1TSHRHTTKDM4EGAA
SCHEMBL2317026 0.78 KDM4E (0.42) ALDH1A1TSHRSMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 — — US disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 — — 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 (1 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-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 ALDH1A1 305/4885TP53 573/4885TSHR 2832/4885

“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.

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