SCHEMBL18797487

SCHEMBL18797487

O=C(c1ccc(F)cn1)c1ccc(Cl)cn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.41
LTC4S Q16873 1/20 0.41
FFAR2 O15552 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
P4HTM Q9NXG6 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PTK2 Q05397 1/20 0.40
VNN1 O95497 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
SCHEMBL10815017 0.88 MAOB (0.55) RAB9ASMN1; SMN2MAOBL3MBTL1BRD4
SCHEMBL5655331 0.86 LTC4S (0.53) RAB9ASMN1; SMN2LMNAKMT2AMAOB
SCHEMBL29780095 0.78 MAOB (0.44) RAB9ASMN1; SMN2LMNAKMT2AMAOB
SCHEMBL18821146 0.78 MAOB (0.44) RAB9ASMN1; SMN2LMNAKMT2AMAOB
SCHEMBL17447442 0.78 P4HTM (0.42) RAB9ASMN1; SMN2KMT2AFFAR2NPC1
SCHEMBL16006837 0.77 RAB9A (0.66) RAB9ASMN1; SMN2LMNAKMT2ANPC1
SCHEMBL29780073 0.77 MAOB (0.43) SMN1; SMN2MAOBL3MBTL1BRD4LTC4S
SCHEMBL18797558 0.77 MAOB (0.43) SMN1; SMN2MAOBL3MBTL1BRD4LTC4S
SCHEMBL14003355 0.77 MAOB (0.49) RAB9ASMN1; SMN2LMNAKMT2AMAOB
SCHEMBL4860208 0.76 P4HTM (0.41) RAB9ASMN1; SMN2KMT2ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3368036-B1 MACROCYCLIC PYRIDINE-N-OXIDE DERIVATIVES AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-07-20 EP disclosed
US-20180339977-A1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-11-29 US disclosed
EP-3368036-A1 FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-09-05 EP disclosed
WO-2017074832-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-05-04 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 (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-20180339977-A1 FACTOR XIA INHIBITORS F11, SERPINC1, TFPI RAB9A 1961/4885SMN1; SMN2 4591/4885LMNA 386/4885

“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.