SCHEMBL5457548

SCHEMBL5457548

CCc1cn(Cc2ccc(OC)cc2C(=O)O)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.56
PLA2G2A P14555 2/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TP53 P04637 1/20 0.48
MCL1 Q07820 1/20 0.48
BAD Q92934 1/20 0.48
LMNA P02545 2/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
FOLH1 Q04609 1/20 0.46
HTR6 P50406 1/20 0.46
SLC22A12 Q96S37 1/20 0.46

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
SCHEMBL5140664 0.90 NR4A2 (0.52) CHRM1PLA2G2ATSHRTP53LMNA
SCHEMBL5458427 0.88 HDAC6 (0.50) CHRM1PLA2G2ATP53MTNR1AMTNR1B
SCHEMBL5139825 0.79 HDAC1 (0.52) CHRM1PLA2G2ATP53LMNAMTNR1A
SCHEMBL13131367 0.79 MAPT (0.57) PLA2G2AALDH1A1TP53LMNAMTNR1A
SCHEMBL5131095 0.79 PLA2G2A (0.52) CHRM1PLA2G2AALDH1A1RAB9ATP53
SCHEMBL5459246 0.78 HDAC6 (0.60) PLA2G2ATP53MTNR1AMTNR1BHTR6
SCHEMBL5139828 0.78 HDAC3 (0.52) PLA2G2ARAB9ATP53MTNR1AMTNR1B
SCHEMBL5461024 0.78 PLA2G2A (0.51) CHRM1PLA2G2AALDH1A1RAB9ATP53
SCHEMBL5139132 0.76 ALDH1A1 (0.58) ALDH1A1LMNAMAPT
SCHEMBL13469239 0.76 SMN1; SMN2 (0.57) ALDH1A1KDM4EHPGDTSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9371281-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS LLC (US) 2016-06-21 US disclosed
US-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS LLC 2015-10-22 US disclosed
US-8900565-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2014-12-02 US disclosed
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-8338416-B2 Indole derivatives as inhibitors of histone deacetylase PHARMACYLICS, INC. (US) 2012-12-25 US disclosed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 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-20150299119-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 CHRM1 4582/4885PLA2G2A 4043/4885ALDH1A1 1362/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 CHRM1 4582/4885PLA2G2A 4043/4885ALDH1A1 1362/4885
US-20130156727-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 CHRM1 4582/4885PLA2G2A 4043/4885ALDH1A1 1362/4885

“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.