SCHEMBL17705231

SCHEMBL17705231

COc1cc(Br)cc(CCC(=O)Nc2ccc(S(=O)(=O)C3CC3)c(CN(C)C)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 5/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
HSD17B1 P14061 1/20 0.39
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18892530 0.91 LMNA (0.42) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL17705232 0.89 LMNA (0.41) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL16293843 0.86 LMNA (0.38) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL17705210 0.85 GAA (0.42) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL17705220 0.84 LMNA (0.49) LMNASMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL17705251 0.83 LMNA (0.39) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL17705212 0.81 RAB9A (0.40) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL17705224 0.80 L3MBTL1 (0.39) LMNAMAPTRAB9AALDH1A1POLB
SCHEMBL17705269 0.79 LMNA (0.36) LMNASMN1; SMN2MAPTALDH1A1POLB
SCHEMBL17705217 0.78 L3MBTL1 (0.44) SMN1; SMN2MAPTRAB9AALDH1A1TSHR

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-9657006-B2 Macrocyclic factor VIIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-23 US disclosed
US-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-04-28 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 (1 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-20160115159-A1 MACROCYCLIC FACTOR VIIA INHIBITORS F7, F12, F5 LMNA 963/4885SMN1; SMN2 2965/4885MAPT 4625/4885

“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.