SCHEMBL4151634

SCHEMBL4151634

COc1cc(/C=C/c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3cc(F)c([N+](=O)[O-])cc23)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.41
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38
MAPT P10636 5/20 0.35
PTGS2 P35354 1/20 0.35
BACE1 P56817 2/20 0.34
SNCA P37840 2/20 0.34

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
SCHEMBL4151638 1.00 CYP19A1 (0.41) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4139708 0.93 CYP19A1 (0.41) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4139710 0.93 CYP19A1 (0.41) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4145317 0.89 AURKA (0.34) MAPTMEN1KMT2ALMNANPC1
SCHEMBL4145319 0.89 AURKA (0.34) MAPTMEN1KMT2ALMNANPC1
SCHEMBL4140241 0.86 MEN1 (0.38) MAPTSNCAMEN1KMT2AALDH1A1
SCHEMBL4140237 0.86 MEN1 (0.38) MAPTSNCAMEN1KMT2AALDH1A1
SCHEMBL4152982 0.84 FBP1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4152978 0.84 FBP1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4151603 0.84 ACHE (0.37) CYP19A1TUBB4ATUBBTUBA3CTUBA1B

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 CYP19A1 978/4885TUBB4A 1979/4885TUBB 1497/4885
US-20050261339-A1 Pyrazole compound and medicinal composition containing the same CNKSR1, NR3C2, CSNK2B CYP19A1 1160/4885TUBB4A 1549/4885TUBB 1123/4885

“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.