SCHEMBL755907

SCHEMBL755907

[Li]c1ccc(Cc2ccc(F)cc2)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
IDO1 P14902 3/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
TAAR1 Q96RJ0 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
TP53 P04637 3/20 0.33
AGXT P21549 2/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DAO P14920 1/20 0.33
POLB P06746 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL751937 0.76 KMT2A (0.41) NPC1IDO1LOXL2TAAR1SMN1; SMN2
SCHEMBL4492592 0.76 POLB (0.45) NPC1TAAR1SMN1; SMN2TP53HPGD
SCHEMBL509869 0.73 ALDH1A1 (0.53) NPC1IDO1LOXL2TAAR1L3MBTL1
SCHEMBL4677316 0.73 HTT (0.44) TP53MAPTMEN1KMT2APOLB
SCHEMBL16093392 0.73 TAAR1 (0.41) NPC1TAAR1SMN1; SMN2HPGDRAB9A
SCHEMBL3222142 0.73 TDP1 (0.58) NPC1SMN1; SMN2RAB9AL3MBTL1MAPT
SCHEMBL27606149 0.73 TAAR1 (0.37) NPC1IDO1LOXL2TAAR1SMN1; SMN2
SCHEMBL3218824 0.72 HTT (0.43) TP53MAPTPOLBUSP2LMNA
Bromide SCHEMBL4677319 0.72 TDP1 (0.56) NPC1SMN1; SMN2RAB9AL3MBTL1MAPT
SCHEMBL3221601 0.72 HTT (0.47) TP53HPGDMAPTKMT2APOLB

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
US-20170066754-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2017-03-09 US disclosed
US-9572813-B2 Antiviral agent SHIONOGI & CO., LTD. (JP) 2017-02-21 US disclosed
EP-3042894-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2016-07-13 EP disclosed
US-20150202208-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2015-07-23 US disclosed
EP-1422218-B1 ANTIVIRAL AGENT SHIONOGI & CO (JP) 2012-03-21 EP disclosed
EP-2181985-B1 Antiviral Agent SHIONOGI & CO (JP) 2011-10-26 EP disclosed
EP-2266958-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2010-12-29 EP disclosed
EP-2181985-A1 Antiviral Agent SHIONOGI & CO., LTD. (JP) 2010-05-05 EP disclosed
US-20040229909-A1 Antiviral agent SHIONOGI & CO., LTD. (JP) 2004-11-18 US disclosed
EP-1422218-A1 ANTIVIRAL AGENT SHIONOGI & CO., LTD. (JP) 2004-05-26 EP 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-20040229909-A1 Antiviral agent ZC3HAV1, ZC3HAV1L, DUT NPC1 1838/4885IDO1 78/4885LOXL2 2766/4885
US-20150202208-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885IDO1 94/4885LOXL2 3359/4885
US-20170066754-A1 ANTIVIRAL AGENT ZC3HAV1, ZC3HAV1L, CCNI NPC1 2338/4885IDO1 94/4885LOXL2 3359/4885

“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.