SCHEMBL14925481

SCHEMBL14925481

CCOC(=O)CCc1nc2ccc(C)cc2n1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACSS2 Q9NR19 1/20 0.47
HKDC1 Q2TB90 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NTRK1 P04629 2/20 0.43
PPARG P37231 2/20 0.41
HDAC1 Q13547 1/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 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
SCHEMBL14925487 0.90 TSHR (0.50) HDAC6MEN1KMT2AMAPTKDM4E
SCHEMBL14925479 0.89 HDAC6 (0.47) HDAC6MEN1KMT2AMAPTKDM4E
SCHEMBL4535664 0.88 TNF (0.48) HDAC6MAPTKDM4EHPGDTSHR
SCHEMBL4538206 0.88 HDAC6 (0.46) HDAC6MEN1KMT2AMAPTTSHR
SCHEMBL14925483 0.86 PPARG (0.48) HDAC6MEN1KMT2AMAPTKDM4E
SCHEMBL4541063 0.83 KMT2A (0.53) MEN1KMT2AMAPTKDM4ETSHR
SCHEMBL14925486 0.81 TSHR (0.52) HDAC6MEN1KMT2AMAPTKDM4E
SCHEMBL16754955 0.81 TNF (0.52) HDAC6MAPTHPGDTSHRPPARG
SCHEMBL4542175 0.80 MCHR1 (0.51) HDAC6MEN1KMT2ATSHRNPSR1
SCHEMBL17882590 0.80 TSHR (0.48) HDAC6MEN1KMT2AMAPTKDM4E

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-9867803-B2 IRE-1α inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-16 US disclosed
US-20170326104-A1 IRE-1ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-11-16 US disclosed
US-9693992-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-07-04 US disclosed
US-9040714-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2015-05-26 US disclosed
US-20150141424-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2015-05-21 US disclosed
US-20130116247-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2013-05-09 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-20150141424-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HDAC6 1697/4885MEN1 3936/4885KMT2A 4481/4885
US-20170326104-A1 IRE-1ALPHA INHIBITORS ERN1, XBP1, ERN2 HDAC6 1697/4885MEN1 3936/4885KMT2A 4481/4885
US-20130116247-A1 IRE-1alpha INHIBITORS ERN1, XBP1, ERN2 HDAC6 1971/4885MEN1 3674/4885KMT2A 4509/4885

“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.