SCHEMBL18299784

SCHEMBL18299784

Cc1cc(C#N)cc([N+](=O)[O-])c1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.56
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MTOR P42345 1/20 0.38
PLK1 P53350 1/20 0.38
TTR P02766 1/20 0.37
ALB P02768 1/20 0.37
KAT2B Q92831 1/20 0.37
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL4639178 0.80 VCAM1 (0.66) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28063755 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1736238 0.79 GPR35 (0.59) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL22636866 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1509524 0.79 VCAM1 (0.56) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL23505827 0.77 TTR (0.52) VCAM1TTRALBALDH1A1TSHR
SCHEMBL12434986 0.76 GPR35 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL323126 0.75 VCAM1 (0.64) VCAM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1026558 0.75 MAPT (0.64) VCAM1MAPTHPGDKAT2BRAB9A
SCHEMBL16564402 0.73 VCAM1 (0.49) VCAM1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2023-03-02 US disclosed
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2021-05-06 US disclosed
CN-107820494-B Nuclear receptor modulators 艾伯维公司 2020-10-16 CN disclosed
EP-3636643-A1 NUCLEAR RECEPTOR MODULATORS (ROR) FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2020-04-15 EP disclosed
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC (US) 2019-02-21 US disclosed
US-10106501-B2 Nuclear receptor modulators ABBVIE INC. (US) 2018-10-23 US disclosed
EP-3307734-A1 NUCLEAR RECEPTOR MODULATORS AbbVie Inc. (US) 2018-04-18 EP disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
US-20160362370-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 US disclosed
WO-2016200851-A1 NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 WO disclosed
WO-2016198908-A1 ROR NUCLEAR RECEPTOR MODULATORS ABBVIE INC. (US) 2016-12-15 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 (5 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-20160362370-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-10106501-B2 Nuclear receptor modulators NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-20210130293-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-20230066771-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885
US-20190055196-A1 NUCLEAR RECEPTOR MODULATORS NR1I2, NR1H2, NR5A2 VCAM1 2218/4885GRIN2D 2132/4885GRIN3B 764/4885

“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.