SCHEMBL20959050

SCHEMBL20959050

O=C(O)N[C@@H]1CCCC[C@H]1c1nnc2ccccn12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SSTR4 P31391 1/20 0.40
KMT2A Q03164 1/20 0.39
CCR5 P51681 1/20 0.39
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20958939 0.74 HSD17B10 (0.39) KDM4ETDP1POLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL20959623 0.73 KDM4E (0.39) KDM4ETDP1POLBMAPTALDH1A1
SCHEMBL15591888 0.72 SSTR4 (0.67) HPGDSSTR4KMT2ASMN1; SMN2
SCHEMBL25417616 0.71 ALDH1A1 (0.39) KDM4ETDP1POLBMAPTALDH1A1
SCHEMBL16103438 0.68 MAPK14 (0.49) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL21243395 0.66 SSTR4 (0.40) ALDH1A1GAASSTR4KMT2ATSHR
SCHEMBL21986316 0.66 ALDH1A1 (0.55) POLBMAPTALDH1A1HSD17B10HPGD
SCHEMBL12185196 0.65 PIM1 (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
Trifluoroacetic Acid SCHEMBL25420616 0.64 CCR5 (0.41) TDP1ALDH1A1HSD17B10HPGDCCR5
Trifluoroacetic Acid SCHEMBL30241558 0.64 SSTR4 (0.41) KDM4ETDP1ALDH1A1HPGDSSTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10435399-B2 HDAC6 inhibitory heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-10-08 US disclosed
US-20190135799-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-09 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 (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-10435399-B2 HDAC6 inhibitory heterocyclic compound HDAC6, HDAC1, HDAC5 KDM4E 522/4885TDP1 1318/4885POLB 3132/4885
US-20190135799-A1 HETEROCYCLIC COMPOUND HDAC1, HDAC5, HDAC6 KDM4E 216/4885TDP1 817/4885POLB 3716/4885

“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.