SCHEMBL3304064

SCHEMBL3304064

COC(=O)c1cc2c(s1)CCNCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.55
KDM4E B2RXH2 6/20 0.54
HPGD P15428 5/20 0.54
RAB9A P51151 3/20 0.54
MAPK1 P28482 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
TP53 P04637 2/20 0.47
DAO P14920 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL977061 0.89 PNMT (0.70) PNMTKDM4EHPGDRAB9AMAPK1
SCHEMBL1173814 0.89 KDM4E (0.56) PNMTKDM4EHPGDRAB9AMAPK1
Hydrochloric Acid SCHEMBL6421343 0.88 PNMT (0.68) PNMTKDM4EHPGDRAB9AMAPK1
Hydrochloric Acid SCHEMBL27077216 0.88 KDM4E (0.55) PNMTKDM4EHPGDRAB9AMAPK1
SCHEMBL1425932 0.84 PNMT (0.51) PNMTKDM4EHPGDRAB9AMAPK1
SCHEMBL11174836 0.83 ALDH1A1 (0.66) PNMTKDM4EHPGDRAB9AMAPK1
Hydrochloric Acid SCHEMBL11174500 0.82 PNMT (0.50) PNMTKDM4EHPGDRAB9AMAPK1
SCHEMBL15407033 0.82 DAO (0.69) KDM4EHPGDRAB9AMAPK1SMN1; SMN2
SCHEMBL7218427 0.82 ALDH1A1 (0.69) KDM4EHPGDRAB9AMAPK1SMN1; SMN2
SCHEMBL13241547 0.82 PNMT (0.79) PNMTKDM4EHPGDRAB9AMAPK1

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 7 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-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 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
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 PNMT 3779/4885KDM4E 903/4885HPGD 1100/4885
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD PNMT 253/4885KDM4E 2370/4885HPGD 331/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 PNMT 3779/4885KDM4E 903/4885HPGD 1100/4885

“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.