SCHEMBL1900185

SCHEMBL1900185

Cc1nc(Br)sc1C(=O)NC1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CHRM4 P08173 4/20 0.44
SMYD3 Q9H7B4 5/20 0.43
EPHX1 P07099 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
GAA P10253 1/20 0.41
HPGDS O60760 1/20 0.40
POLB P06746 1/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Hydrochloric Acid SCHEMBL1900272 0.99 LMNA (0.48) LMNACHRM4SMYD3EPHX1PIM1
SCHEMBL1898830 0.82 LMNA (0.48) LMNACHRM4PIM1CHRM2CHRM1
SCHEMBL2554545 0.82 LMNA (0.48) LMNACHRM4PIM1CHRM2CHRM1
SCHEMBL1898794 0.80 LMNA (0.51) LMNACHRM4CHRM2CHRM1GAA
SCHEMBL1899913 0.74 LMNA (0.53) LMNAEPHX1GAAPOLBALDH1A1
SCHEMBL2686289 0.73 CHRM4 (0.54) LMNACHRM4CHRM2CHRM1KDM4E
SCHEMBL3455901 0.72 LMNA (0.67) LMNACHRM4POLBHSD11B1KDM4E
SCHEMBL8551225 0.71 LMNA (0.39) LMNACHRM4CHRM2CHRM1GAA
SCHEMBL8551232 0.71 LMNA (0.39) LMNACHRM4CHRM2CHRM1GAA
Hydrochloric Acid SCHEMBL8627559 0.70 LMNA (0.43) LMNACHRM4CHRM2CHRM1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed
US-20180072745-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-03-15 US disclosed
US-9856266-B2 IRE-1alpha inhibitors SHANGHAI FOSUN PHARMACEUTICAL INDUSTRIAL DEVELOPMENT CO. LTD. (CN) 2018-01-02 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-20170166576-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-9493435-B2 IRE-1α inhibitors MANNKING CORPORATION (US) 2016-11-15 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
EP-2496230-A1 IRE-1 ALPHA INHIBITORS MannKind Corporation (US) 2012-09-12 EP disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 WO disclosed
WO-2011056744-A1 IRE-1 α INHIBITORS MANNKIND CORPORATION (US) 2011-05-12 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 (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-20180072745-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 LMNA 2347/4885CHRM4 4883/4885SMYD3 4138/4885
US-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 LMNA 2347/4885CHRM4 4883/4885SMYD3 4138/4885
US-20170166576-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 LMNA 2347/4885CHRM4 4883/4885SMYD3 4138/4885

“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.