SCHEMBL18152944

SCHEMBL18152944

O=C(O)Nc1ccc(C(=O)CBr)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
KMT2A Q03164 3/20 0.43
RAB9A P51151 6/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 2/20 0.39
TP53 P04637 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL2980484 0.86 NPC1 (0.59) NPC1KMT2ARAB9ACASP3SENP8
SCHEMBL16753376 0.83 NPC1 (0.47) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL18152957 0.82 POLB (0.46) NPC1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL15790439 0.81 RARA (0.51) NPC1KMT2ARAB9AABCC9ABCC8
SCHEMBL18152952 0.81 ERCC5 (0.44) NPC1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL22217127 0.80 MAPT (0.45) NPC1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL21499744 0.79 NPC1 (0.38) NPC1KMT2ARAB9ACASP3SENP8
SCHEMBL22045535 0.79 MAPT (0.58) NPC1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL18152960 0.78 HDAC1 (0.48) NPC1KMT2ARAB9AABCC9ABCC8
SCHEMBL20551264 0.77 ADRA2C (0.48) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3180317-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
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
US-9868727-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-20170210732-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-27 US 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 (3 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 NPC1 1229/4885KMT2A 1103/4885RAB9A 1969/4885
US-20170210732-A1 Factor XIa Inhibitors F11, SERPINC1, TFPI NPC1 1211/4885KMT2A 1209/4885RAB9A 1961/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI NPC1 1229/4885KMT2A 1103/4885RAB9A 1969/4885

“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.