SCHEMBL20523714

SCHEMBL20523714

CCS(=O)(=O)Nc1cc(Br)cc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTT P42858 2/20 0.46
TSHR P16473 1/20 0.46
HPGD P15428 6/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR6 P50406 1/20 0.40
RIPK2 O43353 1/20 0.39
ACVR1 Q04771 1/20 0.39
NOD2 Q9HC29 1/20 0.39
AR P10275 1/20 0.38
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20523717 0.89 LMNA (0.43) LMNASMN1; SMN2HTTTSHRPOLB
SCHEMBL20523431 0.84 MAPT (0.51) LMNASMN1; SMN2HTTTSHRPOLB
SCHEMBL20523622 0.83 LMNA (0.48) LMNASMN1; SMN2HTTTSHRPOLB
SCHEMBL20523651 0.81 ALDH1A1 (0.55) LMNASMN1; SMN2HTTHPGDKMT2A
SCHEMBL20523511 0.79 LMNA (0.44) LMNASMN1; SMN2HTTTSHRPOLB
SCHEMBL16651568 0.77 AR (0.67) LMNASMN1; SMN2HPGDKMT2AAR
SCHEMBL20523464 0.76 LMNA (0.43) LMNASMN1; SMN2HTTTSHRPOLB
SCHEMBL23290073 0.76 ACVR1 (0.51) LMNASMN1; SMN2HTTTSHRPOLB
SCHEMBL23290084 0.75 RIPK2 (0.46) LMNASMN1; SMN2HTTTSHRHPGD
SCHEMBL20523540 0.75 HTR6 (0.56) LMNASMN1; SMN2HTTTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 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 (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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 LMNA 2304/4885SMN1; SMN2 3113/4885HTT 1641/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 LMNA 2304/4885SMN1; SMN2 3113/4885HTT 1641/4885

“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.