SCHEMBL4158211

SCHEMBL4158211

Cc1nn(C)c(-c2ccccc2)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CDK8 P49336 1/20 0.44
ACVR1 Q04771 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
HTT P42858 2/20 0.41
CASP1 P29466 2/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
BRCA1 P38398 1/20 0.41
CASP7 P55210 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41

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
SCHEMBL3489306 0.85 MAPT (0.44) MAPTNPC1RAB9AHTTCASP1
SCHEMBL11675583 0.82 CA1 (0.54) MAPTCA1CA2CDK8NPC1
SCHEMBL3489183 0.81 SMN1; SMN2 (0.48) MAPTNPC1RAB9ANR1H2NR1H3
SCHEMBL3489083 0.81 SLC34A1 (0.45) MAPTHTTKDM4ESMN1; SMN2GALR3
SCHEMBL14996573 0.80 MAPT (0.52) MAPTCA1CA2CDK8ACVR1
SCHEMBL3488733 0.80 KDM4C (0.38) MAPTNPC1KDM4EKMT2ASMN1; SMN2
SCHEMBL12859309 0.78 MAPT (0.46) MAPTCA1CA2CDK8ACVR1
SCHEMBL7755885 0.77 MAPT (0.49) MAPTCA1CA2CDK8ACVR1
SCHEMBL27217011 0.77 CA1 (0.45) MAPTCA1CA2CDK8ACVR1
SCHEMBL11656557 0.77 MAPT (0.58) MAPTCDK8ACVR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243814-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2018-10-17 EP disclosed
EP-3243814-A1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS AbbVie Inc. (US) 2017-11-15 EP disclosed
EP-2134684-B1 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS ABBVIE INC (US) 2017-08-02 EP disclosed
US-9359296-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2016-06-07 US disclosed
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC (US) 2015-10-08 US disclosed
US-9035047-B2 7-substituted indole Mcl-1 inhibitors ABBVIE INC. (US) 2015-05-19 US disclosed
US-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBVIE INC. (US) 2014-02-20 US disclosed
US-8445679-B2 7-substituted indole MCL-1 inhibitors ABBVIE INC. (US) 2013-05-21 US disclosed
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS ABBOTT LABORATORIES (US) 2009-02-26 US 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 (3 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-20140051683-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MAPT 3221/4885CA1 4173/4885CA2 4702/4885
US-20150284328-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MAPT 3221/4885CA1 4173/4885CA2 4702/4885
US-20090054402-A1 7-SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, API5 MAPT 3221/4885CA1 4173/4885CA2 4702/4885

“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.