SCHEMBL20958012

SCHEMBL20958012

CC(C)c1c(O)nc(-n2ccnc2)nc1OCC(=O)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 12/20 0.44
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
CD38 P28907 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 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
SCHEMBL20565316 0.89 ALDH1A1 (0.37) SMN1; SMN2GAATSHRMAPK1POLB
SCHEMBL20564951 0.82 CD38 (0.40) TSHRMAPK1NPSR1USP2CD38
SCHEMBL20957947 0.82 CYP1A2 (0.51) SMN1; SMN2ALDH1A1CD38MEN1KMT2A
SCHEMBL20958060 0.81 CD38 (0.41) TSHRHTTCD38NPC1
SCHEMBL20958018 0.79 CYP1A2 (0.38) TSHRHTTNPSR1ALDH1A1CD38
SCHEMBL20957952 0.79 CD38 (0.37) CD38
SCHEMBL20958064 0.78 CD38 (0.38) CD38
SCHEMBL20980441 0.77 CD38 (0.38) SMN1; SMN2HTTNPSR1TP53ALDH1A1
SCHEMBL20563854 0.77 CD38 (0.38) SMN1; SMN2HTTNPSR1TP53ALDH1A1
SCHEMBL20564999 0.74 TSHR (0.39) TSHRMAPK1HTTNPSR1TP53

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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 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 (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-20190135793-A1 HETEROCYCLIC INHIBITORS OF KDM5 FOR THE TREATMENT OF DISEASE KDM5A, KDM5B, KDM5C FKBP1A 1631/4885SMN1; SMN2 2544/4885GAA 2911/4885

“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.