SCHEMBL16615128

SCHEMBL16615128

COC(=O)Nc1ccc(C(=O)CCl)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
GSTO1 P78417 1/20 0.40
HIF1A Q16665 2/20 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
SCHEMBL615858 0.87 SMN1; SMN2 (0.45) SMN1; SMN2MAPTALDH1A1TUBB4ATUBB
SCHEMBL30480756 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1TUBB4ATUBB
SCHEMBL616022 0.85 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1TUBB4ATUBB
SCHEMBL16599955 0.83 ALDH1A1 (0.41) SMN1; SMN2MAPTALDH1A1GSTO1HIF1A
SCHEMBL30480741 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1TUBB4ATUBB
SCHEMBL613835 0.81 SMN1; SMN2 (0.53) SMN1; SMN2MAPTALDH1A1TUBB4ATUBB
SCHEMBL18690075 0.80 SMN1; SMN2 (0.47) SMN1; SMN2MAPTALDH1A1TUBB4ATUBB
SCHEMBL615839 0.75 SMN1; SMN2 (0.42) SMN1; SMN2MAPTTUBB4ATUBBTUBA3C
SCHEMBL850626 0.74 SMN1; SMN2 (0.52) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL16648344 0.74 ALDH1A1 (0.69) SMN1; SMN2MAPTALDH1A1HIF1ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229839-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
US-20160229839-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-08-11 US disclosed
WO-2015047973-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 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 (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-20160229839-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI SMN1; SMN2 4591/4885MAPT 3611/4885ALDH1A1 3635/4885

“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.