SCHEMBL984268

SCHEMBL984268

O=C(O)c1cccc2ocnc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.52
ALDH1A1 P00352 4/20 0.49
ALOX15 P16050 3/20 0.41
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
NR4A2 P43354 2/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
AGER Q15109 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DHODH Q02127 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
NAPRT Q6XQN6 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 2/20 0.39

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 SCHEMBL27928599 0.98 PIN1 (0.51) PIN1ALDH1A1ALOX15KDM4ETDP1
Hydrochloric Acid SCHEMBL27755478 0.98 PIN1 (0.51) PIN1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL27755564 0.98 PIN1 (0.51) PIN1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL28508446 0.88 PIN1 (0.50) PIN1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL28007491 0.87 PIN1 (0.47) PIN1ALDH1A1TSHRNR4A2MAPT
SCHEMBL27698465 0.84 PIN1 (0.42) PIN1ALDH1A1ALOX15KDM4ETDP1
SCHEMBL854498 0.84 PARP1 (0.50) PIN1ALDH1A1
SCHEMBL15897691 0.84 PIN1 (0.45) PIN1ALDH1A1KDM4ETSHRNR4A2
SCHEMBL2009467 0.84 PIN1 (0.42) PIN1ALDH1A1NR4A2DHODHXDH
SCHEMBL4107422 0.83 PIN1 (0.41) PIN1ALDH1A1KDM4ETDP1NR4A2

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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 US claimed
CN-101568536-B 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-12-28 CN claimed
CN-102083827-A Thiazolidine compounds as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2011-06-01 CN claimed
US-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-05 US claimed
EP-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-02 US claimed
CN-101790515-A trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD 2010-07-28 CN claimed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 EP claimed
WO-2010038200-A1 OXAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-04-08 WO claimed
WO-2010004507-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-01-14 WO claimed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN claimed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 EP claimed
EP-2069332-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-06-17 EP claimed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 WO claimed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 WO claimed
WO-2008020405-A2 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-02-21 WO claimed
WO-2024076155-A1 NOVEL COMPOUND AS YEATS DOMAIN INHIBITOR 노보렉스 주식회사 2024-04-11 WO disclosed
EP-4301341-A1 LOADING OF ALGINATE MICROSPHERES Board of Regents, The University of Texas System (US) 2024-01-10 EP disclosed
CN-1094400-A Heterogeneous ring compound ZENECA LTD (GB) 1994-11-02 CN disclosed
EP-0591786-A2 Photosensitive composition FUJI PHOTO FILM CO., LTD. (JP) 1994-04-13 EP 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-20110105491-A1 THIAZOLIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OXTR PIN1 2207/4885ALDH1A1 690/4885ALOX15 1712/4885
US-20100222600-A1 AZETIDINE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PIN1 3812/4885ALDH1A1 1961/4885ALOX15 1618/4885

“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.