SCHEMBL18153017

SCHEMBL18153017

CON(C)C(=O)c1ccc(Br)c([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 5/20 0.44
CYP2D6 P10635 1/20 0.44
HCAR3 P49019 1/20 0.44
LMNA P02545 4/20 0.42
TSHR P16473 1/20 0.41
VCAM1 P19320 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
CASP6 P55212 1/20 0.41
MLYCD O95822 1/20 0.40
RAF1 P04049 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL4833667 0.87 CASP6 (0.56) MAPTALDH1A1HCAR3LMNATSHR
SCHEMBL5777374 0.83 ITGB1 (0.49) MAPTALDH1A1HCAR3LMNATSHR
SCHEMBL14561020 0.83 LMNA (0.59) MAPTGAAALDH1A1HCAR3LMNA
SCHEMBL5315134 0.83 ALDH1A1 (0.55) MAPTALDH1A1LMNATSHRMEN1
SCHEMBL4435755 0.83 HCAR3 (0.67) MAPTALDH1A1HCAR3LMNAVCAM1
SCHEMBL12924164 0.81 TSHR (0.60) MAPTGAAALDH1A1LMNATSHR
SCHEMBL14561019 0.81 ERN1 (0.48) MAPTALDH1A1HCAR3LMNATSHR
SCHEMBL989106 0.80 ATM (0.46) MAPTALDH1A1HCAR3LMNATSHR
SCHEMBL1479880 0.79 VCAM1 (0.62) MAPTGAAALDH1A1CYP2D6LMNA
SCHEMBL29197082 0.79 DTYMK (0.49) ALDH1A1HCAR3LMNATSHRCASP6

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
EP-3283464-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2019-10-23 EP disclosed
US-10081617-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-09-25 US disclosed
US-20180079743-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-22 US disclosed
EP-3283464-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-21 EP disclosed
WO-2016168098-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-20 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-20180079743-A1 FACTOR XIa INHIBITORS F11, F2, TFPI MAPT 3748/4885GAA 2668/4885ALDH1A1 3638/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI MAPT 3748/4885GAA 2668/4885ALDH1A1 3638/4885

“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.