SCHEMBL19600883

SCHEMBL19600883

CC1(C)CC(C)(C)C1NC(=O)c1ccc(N2CCN(C3CNC3)CC2)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 4/20 0.43
HDAC1 Q13547 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CXCR3 P49682 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KMT2A Q03164 2/20 0.39
USP30 Q70CQ3 3/20 0.39
HPGD P15428 2/20 0.39
PKM P14618 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL19601012 0.88 HDAC1 (0.41) HPGDSHDAC1NPC1RAB9AHRH3
SCHEMBL20076245 0.86 HPGDS (0.56) HPGDSHDAC1HDAC3HDAC10HDAC6
SCHEMBL19600790 0.79 HPGDS (0.50) HPGDSHDAC1NPC1RAB9AALDH1A1
SCHEMBL22873387 0.78 HPGDS (0.44) HPGDSNPC1RAB9AALDH1A1TSHR
SCHEMBL20075923 0.78 DDB1 (0.52) HDAC1TSHRSMN1; SMN2MAPTHRH3
SCHEMBL23158449 0.77 HPGDS (0.45) HPGDSNPC1RAB9AALDH1A1TSHR
SCHEMBL19600880 0.76 AR (0.60)
Hydrochloric Acid SCHEMBL19581073 0.75 AR (0.59)
Hydrochloric Acid SCHEMBL19581072 0.75 AR (0.59)
SCHEMBL21743687 0.74 HRH3 (0.41) HPGDSHRH3HDAC3HDAC10HDAC6

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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. 2020-02-20 US disclosed
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 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-20200055825-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HPGDS 2344/4885HDAC1 500/4885NPC1 1813/4885
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HPGDS 2344/4885HDAC1 500/4885NPC1 1813/4885

“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.