SCHEMBL7787929

SCHEMBL7787929

Cc1c(C(=O)NO)sc2c1CN(C(=O)C13CC4CC(CC(C4)C1)C3)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 4/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SRD5A2 P31213 1/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GNRHR P30968 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 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
SCHEMBL1174052 0.76 HDAC6 (0.57) MAPTCNR2
SCHEMBL1174003 0.75 HDAC6 (0.59) HSD11B1L3MBTL1CNR2SRD5A2ALDH1A1
SCHEMBL1173941 0.74 PRMT5 (0.37) MAPTCYP2C9CYP2C19
SCHEMBL1175119 0.73 HDAC6 (0.59) HSD11B1L3MBTL1CNR2SRD5A2ALDH1A1
SCHEMBL1174108 0.70 HDAC6 (0.48) HSD11B1L3MBTL1MEN1MAPTKMT2A
SCHEMBL1174262 0.70 HDAC6 (0.52) MEN1MAPTKMT2AALDH1A1KDM4E
SCHEMBL1174139 0.70 HDAC6 (0.51) MEN1KMT2A
SCHEMBL7797678 0.70 GRM5 (0.49) L3MBTL1ALDH1A1
SCHEMBL1173854 0.70 HDAC6 (0.64) MEN1KMT2ACYP3A4TSHR
SCHEMBL1174092 0.69 L3MBTL1 (0.46) L3MBTL1KMT2AALDH1A1

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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 US disclosed
WO-2010151317-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-12-29 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 (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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HSD11B1 1146/4885L3MBTL1 2918/4885MEN1 3742/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 HSD11B1 1146/4885L3MBTL1 2918/4885MEN1 3742/4885

“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.