SCHEMBL21385773

SCHEMBL21385773

O=C(O)c1cncnc1SS

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.39
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
HPGD P15428 2/20 0.34
PKM P14618 1/20 0.33
KDM4E B2RXH2 5/20 0.32
KDM6B O15054 2/20 0.32
KDM4A O75164 2/20 0.32
KDM4D Q6B0I6 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1AN Q9NWT6 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ASPH Q12797 1/20 0.32
KDM8 Q8N371 1/20 0.32
NAPRT Q6XQN6 1/20 0.31

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
SCHEMBL22473882 0.85 HCAR2 (0.36) HCAR2KMT2AMEN1HPGDKDM4E
SCHEMBL23094635 0.81 KDM6B (0.42) HCAR2KMT2AMEN1HPGDPKM
SCHEMBL16612356 0.77 HSD11B1 (0.39) HCAR2HPGDKDM4EKDM6BKDM4A
SCHEMBL1015260 0.74 HSD11B1 (0.50) HPGDKDM6BKDM4AKDM4DKDM4C
SCHEMBL15023500 0.74 HCAR2 (0.43) HCAR2KMT2AMEN1HPGDKDM4E
SCHEMBL2575802 0.71 HCAR2 (0.44) HCAR2KMT2AMEN1HPGDKDM4E
SCHEMBL68960 0.71 KDM4E (0.47) HCAR2KMT2AMEN1HPGDKDM4E
SCHEMBL1667344 0.69 HPGD (0.47) HCAR2KMT2AMEN1HPGDPKM
SCHEMBL758324 0.69 NAPRT (0.48) HCAR2KMT2AMEN1KDM4EKDM6B
SCHEMBL1344662 0.69 SMN1; SMN2 (0.48) HCAR2KMT2AMEN1KDM4EKDM6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-09-24 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 (1 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-10421720-B2 Octahydrocyclopentapyrroles, their preparation and use CLN6, ALDH1A2, C1S HCAR2 1216/4885KMT2A 4446/4885MEN1 2772/4885

“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.