SCHEMBL10237222

SCHEMBL10237222

c1nc(N2CCCC2)c2c3c(sc2n1)CCCC3

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.82
DRD2 P14416 1/20 0.80
ALDH1A1 P00352 10/20 0.72
TSHR P16473 6/20 0.72
MAPK1 P28482 6/20 0.72
LMNA P02545 4/20 0.72
MEN1 O00255 4/20 0.70
KMT2A Q03164 4/20 0.70
KDM4E B2RXH2 5/20 0.70
MAPT P10636 2/20 0.70
NPSR1 Q6W5P4 2/20 0.70
HSD17B10 Q99714 4/20 0.67
GAA P10253 2/20 0.67
ALOX15 P16050 2/20 0.67
ALOX12 P18054 1/20 0.67
MCL1 Q07820 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
STAT3 P40763 1/20 0.60
GPR55 Q9Y2T6 1/20 0.60
LIMK1 P53667 2/20 0.59

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
SCHEMBL13641084 0.98 HTT (0.80) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL13164948 0.95 HTT (0.75) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL7661912 0.89 DRD2 (1.00) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL13641058 0.84 HTT (0.67) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL5255486 0.83 ALDH1A1 (0.63) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL16406276 0.83 ALDH1A1 (0.68) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL18313846 0.82 HTT (0.65) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL13640907 0.81 HTT (0.63) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL16211012 0.81 ALDH1A1 (1.00) HTTDRD2ALDH1A1TSHRMAPK1
SCHEMBL13641147 0.81 STAT3 (0.71) HTTDRD2ALDH1A1TSHRMAPK1

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-9981981-B2 Tricyclic proteasome activity enhancing compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-29 US disclosed
EP-2595993-B1 TRICYCLIC PROTEASOME ACTIVITY ENHANCING COMPOUNDS HARVARD COLLEGE (US) 2018-04-18 EP disclosed
US-20160039839-A1 Tricyclic Proteasome Activity Enhancing Compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-02-11 US disclosed
US-8933087-B2 Tricyclic proteasome activity enhancing compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-01-13 US disclosed
US-20130210845-A1 Tricyclic Proteasome Activity Enhancing Compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-08-15 US disclosed
WO-2012012712-A2 TRICYCLIC PROTEASOME ACTIVITY ENHANCING COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-26 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-20130210845-A1 Tricyclic Proteasome Activity Enhancing Compounds PSME3, PSME1, PSMG3 HTT 199/4885DRD2 4507/4885ALDH1A1 4001/4885
US-20160039839-A1 Tricyclic Proteasome Activity Enhancing Compounds PSME3, PSME1, PSMG3 HTT 199/4885DRD2 4507/4885ALDH1A1 4001/4885

“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.