SCHEMBL19253880

SCHEMBL19253880

COC(=O)c1ccc2[nH]c(C(CC3CC3)c3ccc(Br)cn3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
B3GNT2 Q9NY97 1/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL17477819 0.84 SMN1; SMN2 (0.40) MMP2MMP9MMP8MMP13MMP1
SCHEMBL17480789 0.82 F11 (0.39) KMT2AMAPTSMN1; SMN2KDM4EGCK
SCHEMBL17480682 0.75 SLC7A5 (0.38) MEN1KMT2AMAPTMAPK1B3GNT2
SCHEMBL19253879 0.73 CYP1A2 (0.39) MMP2MMP9MMP8MMP13MEN1
SCHEMBL17480786 0.71 F11 (0.43) F11KLKB1
SCHEMBL407841 0.71 KDM4E (0.48) MMP2MMP9MMP8MMP13MMP1
SCHEMBL17295757 0.70 F11 (0.46) MMP1MMP3MMP7MEN1KMT2A
SCHEMBL17477806 0.70 AAK1 (0.47) KMT2AMAPTMAPK1KDM4EALDH1A1
SCHEMBL19138146 0.70 FPR2 (0.35) MEN1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL27157157 0.70 TLR8 (0.35) MMP2MMP9MMP8MMP13MEN1

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
EP-3180327-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2019-05-08 EP disclosed
US-10011585-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-07-03 US disclosed
US-20170240523-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-24 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 (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-20170240523-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI MMP2 80/4885MMP9 81/4885MMP8 78/4885
US-10011585-B2 Factor XIa inhibitors F11, SERPINC1, TFPI MMP2 80/4885MMP9 81/4885MMP8 78/4885

“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.