SCHEMBL2962385

SCHEMBL2962385

COC1(Cc2ccccc2F)CCN(c2cc[c]cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
BCL2L1 Q07817 2/20 0.37
BCL2 P10415 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 3/20 0.35
MEN1 O00255 4/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
CYP2A13 Q16696 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.32
RET P07949 1/20 0.31

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
SCHEMBL376891 0.84 KDM4E (0.45) KMT2ABCL2L1BCL2KDM4EMAPT
SCHEMBL13503798 0.82 ALDH1A1 (0.42) KMT2ABCL2L1BCL2ALDH1A1KDM4E
SCHEMBL2965712 0.81 BCL2L1 (0.46) KMT2ABCL2L1BCL2ALDH1A1KDM4E
SCHEMBL386110 0.81 F2 (0.47) KMT2ABCL2L1BCL2MAPTMEN1
SCHEMBL376911 0.80 PARP14 (0.45) KMT2ABCL2L1BCL2ALDH1A1MAPT
SCHEMBL376530 0.78 ALDH1A1 (0.44) KMT2ABCL2L1BCL2ALDH1A1KDM4E
SCHEMBL376529 0.74 BCL2L1 (0.40) KMT2ABCL2L1BCL2ALDH1A1KDM4E
SCHEMBL27566544 0.74 DPP4 (0.47) KMT2AALDH1A1KDM4EMEN1CYP3A4
SCHEMBL4639085 0.74 GAA (0.41) KMT2AALDH1A1KDM4EMEN1MAPK1
SCHEMBL8111586 0.73 SLC6A2 (0.39) KMT2AALDH1A1KDM4EMAPTCYP3A4

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
EP-1888543-B1 APOPTOSIS PROMOTERS ABBOTT LAB (US) 2012-08-01 EP disclosed
US-7777076-B2 Macrocyclic inhibitors of BCL proteins ABBOTT LABORATORIES (US) 2010-08-17 US disclosed
US-20080194691-A1 Apoptosis Promoters ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
EP-1888543-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2008-02-20 EP disclosed
WO-2006127364-A1 APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2006-11-30 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-20080194691-A1 Apoptosis Promoters BAX, BCL2, BCOR KMT2A 3584/4885BCL2L1 6/4885BCL2 2/4885

“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.