SCHEMBL17825587

SCHEMBL17825587

COc1cc(Cl)nc2c(F)ccc(C)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
S1PR1 P21453 4/20 0.42
NQO2 P16083 3/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
F9 P00740 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
P2RX7 Q99572 1/20 0.35
EGFR P00533 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPK1 P28482 1/20 0.34
FLT1 P17948 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
SCHEMBL17825614 0.81 NPC1 (0.39) MAPTNPC1LMNAPOLBRAB9A
SCHEMBL17825675 0.80 LMNA (0.38) LMNAF9HPGD
SCHEMBL24716658 0.73 MAPT (0.46) MAPTS1PR1NQO2NPC1LMNA
SCHEMBL13313436 0.71 NQO2 (0.46) MAPTS1PR1NQO2NPC1LMNA
SCHEMBL13271049 0.71 NQO2 (0.42) MAPTS1PR1NQO2NPC1LMNA
SCHEMBL2871982 0.69 MAPT (0.57) MAPTNQO2NPC1LMNAPOLB
SCHEMBL1577694 0.66 LMNA (0.43) MAPTS1PR1LMNAPOLBRAB9A
SCHEMBL17825650 0.66 OPRK1 (0.39) NPC1LMNAPOLBRAB9AF9
SCHEMBL6407176 0.66 MAPT (0.53) MAPTNQO2NPC1LMNAPOLB
SCHEMBL8087290 0.66 LMNA (0.47) MAPTS1PR1NQO2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
EP-3229801-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2020-04-01 EP disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-10189819-B2 Factor IXa inhibitors MERCK SHARP & DOHME, CORP. (US) 2019-01-29 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
US-20180030036-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2018-02-01 US disclosed
EP-3229801-A1 FACTOR IXA INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-10-18 EP disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 WO disclosed
WO-2016094260-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-06-16 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-20180030036-A1 Factor IXa Inhibitors F9, TFPI, F12 MAPT 2161/4885S1PR1 2918/4885NQO2 1107/4885
US-10189819-B2 Factor IXa inhibitors F9, TFPI, F12 MAPT 2161/4885S1PR1 2918/4885NQO2 1107/4885

“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.