SCHEMBL9952260

SCHEMBL9952260

Nc1ccc2c(I)c(-c3ccccc3)oc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 7/20 0.50
MEN1 O00255 7/20 0.50
HPGD P15428 6/20 0.50
MAPT P10636 5/20 0.50
DDR2 Q16832 1/20 0.41
HSD17B10 Q99714 6/20 0.41
CYP3A4 P08684 5/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
ALOX15 P16050 3/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL28195343 0.87 KDM4E (0.51) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL16332352 0.81 ALDH1A1 (0.51) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL28158806 0.80 KDM4E (0.50) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL28195347 0.78 CYP3A4 (0.53) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL1534415 0.75 DDR2 (0.51) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL11237027 0.75 ALDH1A1 (0.70) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL9952445 0.74 KMT2A (0.57) KMT2AALDH1A1MEN1HPGDMAPT
SCHEMBL14174160 0.74 KDM4E (0.65) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL15456031 0.73 ALDH1A1 (0.40) KDM4EKMT2AALDH1A1MEN1HPGD
SCHEMBL28273072 0.73 KMT2A (0.46) KDM4EKMT2AALDH1A1MEN1HPGD

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
CN-106986862-A Hepatitis c inhibitor and application thereof ABBVIE 公司 2017-07-28 CN disclosed
US-9567355-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2017-02-14 US disclosed
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-12-08 US disclosed
CN-103649079-B Hepatitis c inhibitor and application thereof ABBVIE 公司 2016-11-16 CN disclosed
US-9453007-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2016-09-27 US disclosed
US-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. 2016-01-07 US disclosed
US-9173887-B2 Hepatitis C inhibitors and uses thereof ABBVIE INC. (US) 2015-11-03 US disclosed
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-02-06 US disclosed
EP-2655362-A1 HEPATITIS C INHIBITORS AND USES THEREOF Abbvie Inc. (US) 2013-10-30 EP disclosed
WO-2012087833-A1 HEPATITIS C INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-06-28 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-20160002213-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 KDM4E 4355/4885KMT2A 4446/4885ALDH1A1 1137/4885
US-20140038919-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 KDM4E 4355/4885KMT2A 4446/4885ALDH1A1 1137/4885
US-20160355530-A1 HEPATITIS C INHIBITORS AND USES THEREOF HAVCR2, HCCS, SLC10A1 KDM4E 4355/4885KMT2A 4446/4885ALDH1A1 1137/4885

“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.