SCHEMBL18153097

SCHEMBL18153097

Nc1ccc(-n2cc(I)cn2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.41
RAD52 P43351 1/20 0.41
CYP3A4 P08684 4/20 0.41
HTT P42858 2/20 0.41
NFKB1 P19838 1/20 0.41
PMP22 Q01453 1/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
TP53 P04637 1/20 0.33
ALOX15 P16050 2/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL24257749 0.82 MAPT (0.44) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL27922066 0.80 P2RX7 (0.37) SMN1; SMN2GAAKDM4EALOX15NOTUM
SCHEMBL25432273 0.80 MAPT (0.44) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL20319504 0.78 ALDH1A1 (0.41) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL17152833 0.77 BCHE (0.44) ALDH1A1MAPTKDM4ETSHRNOTUM
SCHEMBL18153033 0.74 HSD17B10 (0.47) ALDH1A1MAPTSMN1; SMN2GAAHTT
SCHEMBL17293155 0.72 P2RX7 (0.41) ALDH1A1POLBMAPTSMN1; SMN2GAA
SCHEMBL27460038 0.72 TDP1 (0.32) TDP1JAK2
SCHEMBL18153182 0.72 KDM4E (0.41) ALDH1A1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL994065 0.71 ALDH1A1 (0.46) ALDH1A1POLBMAPTSMN1; SMN2GAA

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 9 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
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
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 ALDH1A1 3638/4885POLB 4703/4885MAPT 3748/4885
US-10081617-B2 Factor XIa inhibitors F11, F2, TFPI ALDH1A1 3638/4885POLB 4703/4885MAPT 3748/4885

“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.