SCHEMBL4144640

SCHEMBL4144640

O=C(O)c1cc2c(C=Cc3cccc(F)c3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ BAD Q92934 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35

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
SCHEMBL4144638 1.00 NFE2L2 (0.39) NFE2L2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4153483 0.87 RELA (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4153487 0.87 RELA (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL4140496 0.86 NTSR1 (0.40) NFE2L2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4140501 0.86 NTSR1 (0.40) NFE2L2ALDH1A1NPC1RAB9AKDM4E
SCHEMBL4158795 0.85 NFE2L2 (0.37) NFE2L2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4158790 0.85 NFE2L2 (0.37) NFE2L2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4149270 0.85 NFE2L2 (0.42) NFE2L2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4149268 0.85 NFE2L2 (0.42) NFE2L2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4152982 0.82 FBP1 (0.39) NFE2L2ALDH1A1POLBTUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 — — US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 — — US disclosed
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 — — US disclosed
US-20050208582-A1 Pyrazole compounds and pharmaceutical compositions comprising the compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-09-22 — — US disclosed
EP-1510516-A1 PYRAZOLE COMPOUND AND MEDICINAL COMPOSITION CONTAINING THE SAME Eisai Co., Ltd. (JP) 2005-03-02 — — EP 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B NFE2L2 434/4885ALDH1A1 2731/4885NPC1 3183/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B NFE2L2 413/4885ALDH1A1 2713/4885NPC1 3703/4885

“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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