SCHEMBL18153033

SCHEMBL18153033

O=[N+]([O-])c1ccc(-n2cc(I)cn2)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.47
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
ALDH1A1 P00352 10/20 0.45
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 2/20 0.42
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL26260329 0.84 MAPT (0.48) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL26618162 0.84 ALDH1A1 (0.47) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL10348148 0.78 PKM (0.49) HSD17B10MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL20265510 0.76 ALDH1A1 (0.44) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL6446115 0.75 HSD17B10 (0.49) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL20265180 0.75 GABRA2 (0.54) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL17292927 0.74 HSD17B10 (0.55) HSD17B10MAPTGAAALDH1A1LMNA
SCHEMBL10347988 0.74 PHOSPHO1 (0.43) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL11901316 0.74 MAPT (0.51) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL19814412 0.72 NOTUM (0.53) HSD17B10MAPTGAAALDH1A1LMNA

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 7 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
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
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 HSD17B10 1444/4885MAPT 3748/4885GAA 2668/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI HSD17B10 1444/4885MAPT 3748/4885GAA 2668/4885

“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.