Sugi Predict

Sugi Predict / Compounds / SCHEMBL4154456

SCHEMBL4154456

SCHEMBL4154456

O=[N+]([O-])c1cc2c(C=Cc3cccs3)nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ KMT2A Q03164 5/20 0.34
▸ HTT P42858 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ GAA P10253 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ MAPT P10636 6/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ VCAM1 P19320 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4154453 1.00 MAOA (0.37) MAOAMAOBKMT2AHTTMEN1
SCHEMBL4146107 0.88 KMT2A (0.34) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL4146113 0.88 KMT2A (0.34) KMT2AMEN1LMNARAB9ANPC1
SCHEMBL4140241 0.85 MEN1 (0.38) KMT2AMEN1LMNASMN1; SMN2RAB9A
SCHEMBL4140237 0.85 MEN1 (0.38) KMT2AMEN1LMNASMN1; SMN2RAB9A
SCHEMBL4145319 0.84 AURKA (0.34) KMT2AHTTMEN1LMNASMN1; SMN2
SCHEMBL4145317 0.84 AURKA (0.34) KMT2AHTTMEN1LMNASMN1; SMN2
SCHEMBL4143772 0.84 GRM4 (0.32) KMT2AHTTLMNASMN1; SMN2RAB9A
SCHEMBL4143770 0.84 GRM4 (0.32) KMT2AHTTLMNASMN1; SMN2RAB9A
SCHEMBL4152982 0.83 FBP1 (0.39) KMT2AMEN1POLBALDH1A1AURKA

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 MAOA 2221/4885MAOB 1861/4885KMT2A 810/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B MAOA 2624/4885MAOB 2177/4885KMT2A 741/4885

“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.