SCHEMBL13765366

SCHEMBL13765366

CC(=O)c1[nH]c2cc(N)c(Br)cc2c1S(=O)(=O)N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 5/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 3/20 0.36
PKM P14618 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 1/20 0.35

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
SCHEMBL2927643 0.90 GAA (0.37) TP53MAPTTSHRSMN1; SMN2LMNA
SCHEMBL2929962 0.86 SMN1; SMN2 (0.47) TP53MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL2931023 0.82 GAA (0.39) TP53MAPTTSHRSMN1; SMN2LMNA
SCHEMBL2929535 0.77 SMN1; SMN2 (0.50) TP53MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL2930071 0.75 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL2930507 0.73 MAP2 (0.43) TP53MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL2927462 0.73 TP53 (0.44) TP53MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL4019073 0.72 GAA (0.48) TP53MAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL2931274 0.72 MAP2 (0.44) MAPTALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL2927095 0.71 ALDH1A1 (0.44) TP53MAPTALDH1A1SMN1; SMN2LMNA

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-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 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-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 TP53 523/4885MAPT 2505/4885ALDH1A1 2434/4885

“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.