SCHEMBL23566136

SCHEMBL23566136

CC(C)c1ccc(C#N)n1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 5/20 0.38
CYP19A1 P11511 1/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 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
SCHEMBL19301845 0.79 AR (0.47) PGRARMEN1KMT2ATSHR
SCHEMBL23565941 0.72 PGR (0.36) PGR
SCHEMBL19284385 0.70 AR (0.51) ARMEN1KMT2ATSHRKDM4E
SCHEMBL13145008 0.69 PGR (0.46) PGRAR
SCHEMBL14857790 0.68 AR (0.46) PGRARMEN1KMT2ATSHR
SCHEMBL23566132 0.68 TSHR (0.44) KMT2ATSHRALDH1A1SMN1; SMN2POLB
SCHEMBL19224386 0.67 PGR (0.35) PGRAR
SCHEMBL8802854 0.67 CCR2 (0.54) PGRMEN1KMT2ATSHRCYP19A1
SCHEMBL23565937 0.66 BRD4 (0.46) TSHRNPSR1ALDH1A1HPGDSMN1; SMN2
SCHEMBL19301727 0.65 KDM4E (0.39) PGRMEN1KMT2ATSHRKDM4E

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-11198681-B2 Heteroaryl inhibitors of PAD4 PADLOCK THERAPEUTICS, INC. (US) 2021-12-14 US disclosed
US-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADLOCK THERAPEUTICS INC (US) 2021-06-24 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 (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-20210188810-A1 HETEROARYL INHIBITORS OF PAD4 PADI4, PADI1, PADI6 PGR 3693/4885AR 3760/4885MEN1 4025/4885
US-11198681-B2 Heteroaryl inhibitors of PAD4 PADI4, PADI1, PADI6 PGR 3693/4885AR 3760/4885MEN1 4025/4885

“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.