SCHEMBL616122

SCHEMBL616122

CC(C)(C)C(NC(=O)O)c1cc(Cl)nnc1Cl

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SYK P43405 1/20 0.31
HTT P42858 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.30
PDE2A O00408 2/20 0.30

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
SCHEMBL2115559 0.74 MAPT (0.43) KMT2AALDH1A1SMN1; SMN2MAPK1RAB9A
SCHEMBL2117085 0.72 PDE2A (0.36) SMN1; SMN2PDE2A
SCHEMBL613891 0.70 ATM (0.30) KMT2AL3MBTL1
SCHEMBL68420 0.69 SMARCA2 (0.41) LMNAKMT2AMAPK1PDE2A
SCHEMBL28564528 0.67 ALDH1A1 (0.40) LMNAKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL2065632 0.67 NAPRT (0.41) LMNAKMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL29414845 0.66 TDP1 (0.39) TDP1PDE2A
SCHEMBL22638204 0.66 TDP1 (0.39) TDP1PDE2A
SCHEMBL22632626 0.66 TDP1 (0.39) TDP1PDE2A
SCHEMBL21749372 0.65 TDP1 (0.41) LMNAALDH1A1TDP1PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-02-16 US disclosed
WO-2011100402-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100401-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO 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-20120041190-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885KMT2A 1111/4885ALDH1A1 4598/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885KMT2A 1111/4885ALDH1A1 4598/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 LMNA 1757/4885KMT2A 1111/4885ALDH1A1 4598/4885

“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.