SCHEMBL20209830

SCHEMBL20209830

CCC(CC)C(=O)c1cnn(-c2cccc(Cl)c2)c1C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.56
KMT2A Q03164 3/20 0.54
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 1/20 0.44
PTGS2 P35354 1/20 0.43
CCR1 P32246 3/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL14706023 0.86 KMT2A (0.57) HTTKMT2AMAPK1RAB9ANPC1
SCHEMBL18933496 0.83 HTT (0.59) HTTKMT2AMAPK1GAAMAPT
SCHEMBL6052435 0.81 KMT2A (0.64) HTTKMT2AMAPK1RAB9ANPC1
SCHEMBL6345488 0.81 MAPK1 (0.70) HTTKMT2AMAPK1MAPTRAB9A
SCHEMBL20210114 0.79 HTT (0.55) HTTKMT2AMAPK1GAAMAPT
Hydrochloric Acid SCHEMBL6313925 0.74 SLC9A1 (0.73) HTTKMT2AMAPK1RAB9ANPC1
SCHEMBL10340603 0.73 HTT (0.78) HTTKMT2AMAPTRAB9AMEN1
SCHEMBL18933554 0.73 RXRA (0.52) HTTKMT2AMAPK1GAAMAPT
Hydrochloric Acid SCHEMBL6313917 0.72 KMT2A (0.51) HTTKMT2ARAB9ANPC1POLB
SCHEMBL15930131 0.72 HTT (0.65) HTTKMT2AGAAMAPTRAB9A

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-10208068-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-02-19 US disclosed
US-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-05-31 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-20180148461-A1 NOVEL MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F12 HTT 2579/4885KMT2A 1182/4885MAPK1 540/4885
US-10208068-B2 Macrocycles as factor XIa inhibitors TFPI, TFPI2, F12 HTT 2206/4885KMT2A 1029/4885MAPK1 672/4885

“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.