SCHEMBL4284955

SCHEMBL4284955

Cc1cc([N+](=O)[O-])c(Cl)cc1Sc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 9/20 0.50
▸ IDO1 P14902 2/20 0.47
▸ PDE7B Q9NP56 3/20 0.44
▸ ALDH1A1 P00352 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ PDE4B Q07343 1/20 0.41
▸ PDE4D Q08499 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL5857100 0.78 PDE7A (0.72) PDE7AIDO1PDE7BALDH1A1L3MBTL1
SCHEMBL810705 0.75 PDE7A (0.65) PDE7AIDO1PDE7BALDH1A1L3MBTL1
SCHEMBL29712919 0.75 IDO1 (0.49) PDE7AIDO1ALDH1A1L3MBTL1MAPT
SCHEMBL4276593 0.75 MEN1 (0.40) PDE7AALDH1A1MAPTLMNAMEN1
SCHEMBL4277738 0.75 MAPT (0.43) PDE7AALDH1A1L3MBTL1MAPTLMNA
SCHEMBL6564207 0.72 IDO1 (0.57) PDE7AIDO1PDE7BALDH1A1L3MBTL1
SCHEMBL31693512 0.72 TSHR (0.46) ALDH1A1TSHRMAPK1ATMTDP1
SCHEMBL214031 0.72 TSHR (0.46) ALDH1A1TSHRMAPK1ATMTDP1
SCHEMBL2614719 0.71 PDE7A (0.59) PDE7AIDO1PDE7BALDH1A1L3MBTL1
SCHEMBL31592017 0.71 TSHR (0.52) ALDH1A1MAPTHTTNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 — — US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 — — US disclosed
US-20090099186-A1 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. 2009-04-16 — — US disclosed
WO-2007047146-A2 INHIBITORS OF VIRAL REPLICATION INTERMUNE, INC. (US) 2007-04-26 — — WO 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-20090099186-A1 INHIBITORS OF VIRAL REPLICATION EIF2AK2, HAVCR2, RTF2 PDE7A 4400/4885IDO1 813/4885PDE7B 3443/4885

“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.

Send feedback