SCHEMBL5875787

SCHEMBL5875787

COCC(O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
CYP19A1 P11511 1/20 0.37
KCNN4 O15554 1/20 0.36
HSD11B1 P28845 1/20 0.36
NPC1 O15118 1/20 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
SCHEMBL5876465 0.93 KMT2A (0.49) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL23003799 0.82 KMT2A (0.44) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL19884937 0.78 SMN1; SMN2 (0.47) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL9729319 0.77 CHRM3 (0.46) SMN1; SMN2CYP19A1KCNN4
SCHEMBL9108021 0.77 GRIN2D (0.38) KMT2AMEN1HTTL3MBTL1SMN1; SMN2
SCHEMBL6935611 0.76 CYP3A4 (0.50) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL1240732 0.73 TACR1 (0.38) KMT2AMEN1HTTL3MBTL1SMN1; SMN2
SCHEMBL28076784 0.73 NFE2L2 (0.47) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL28076786 0.73 NFE2L2 (0.47) KMT2AMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL3885050 0.73 CYP3A4 (0.52) KMT2AMEN1CYP3A4CYP2D6CYP2C9

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-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 US disclosed
EP-1414805-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY Aventis Pharma S.A. (FR) 2004-05-06 EP disclosed
WO-2003011833-A1 INDAZOLE OR INDOLE DERIVATIVES, THEIR USE IN HUMAN MEDICINE AND MORE PARTICULARLY IN CANCEROLOGY AVENTIS PHARMA S.A. (FR) 2003-02-13 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT KMT2A 2326/4885MEN1 548/4885CYP3A4 26/4885

“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.