SCHEMBL9102881

SCHEMBL9102881

CSc1ccc(C(N)=O)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
MCL1 Q07820 1/20 0.46
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 2/20 0.42
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
GAA P10253 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL29844261 0.84 MCL1 (0.48) HPGDALOX15TSHRMCL1KMT2A
SCHEMBL22514066 0.82 MCL1 (0.47) HPGDTSHRMCL1KMT2AKDM4E
SCHEMBL1017987 0.82 MCL1 (0.61) HPGDMCL1KMT2AKDM4EL3MBTL1
SCHEMBL30826508 0.81 MCL1 (0.55) HPGDALOX15TSHRMCL1MKNK1
SCHEMBL30846815 0.79 DGAT1 (0.55) HPGDALOX15TSHRMCL1KMT2A
SCHEMBL21947304 0.79 DGAT1 (0.55) HPGDALOX15TSHRMCL1KMT2A
SCHEMBL31229283 0.78 ALDH1A1 (0.45) HPGDMCL1KMT2AKDM4EMEN1
SCHEMBL2257900 0.78 ALDH1A1 (0.45) HPGDMCL1KMT2AKDM4EMEN1
SCHEMBL9770537 0.77 MCL1 (0.50) HPGDALOX15TSHRMCL1KMT2A
SCHEMBL21843804 0.76 MAP2K2 (0.49) HPGDALOX15TSHRMCL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 US disclosed
US-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2013-06-06 US disclosed
WO-2012074469-A1 NEW IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 WO disclosed
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS ASTRAZENECA AB (SE) 2012-06-07 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 (3 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-20130143858-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885ALOX15 4547/4885TSHR 304/4885
US-20120142659-A1 COMPOUNDS AND THEIR USE AS IKACH BLOCKERS KCNH2, KCNJ2, KCNH3 HPGD 3343/4885ALOX15 4547/4885TSHR 304/4885
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 HPGD 338/4885ALOX15 2260/4885TSHR 3115/4885

“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.