SCHEMBL22130481

SCHEMBL22130481

N#Cc1cc(C#N)c(I)c(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.48
ALB P02768 2/20 0.48
VCAM1 P19320 2/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.33
IMPDH2 P12268 1/20 0.31
IMPDH1 P20839 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
XDH P47989 1/20 0.31
GPR35 Q9HC97 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30

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
SCHEMBL26345588 0.84 TTR (0.40) TTRALBVCAM1MEN1KMT2A
SCHEMBL2040623 0.74 VCAM1 (0.41) TTRALBVCAM1MEN1KMT2A
SCHEMBL31038060 0.74 TTR (0.64) TTRALBVCAM1MEN1KMT2A
SCHEMBL3048555 0.74 VCAM1 (0.41) TTRALBVCAM1MEN1KMT2A
SCHEMBL11871037 0.74 TTR (0.75) TTRALBVCAM1MEN1KMT2A
SCHEMBL22664414 0.72 TTR (0.48) TTRALBVCAM1MEN1KMT2A
SCHEMBL21918828 0.72 VCAM1 (0.39) TTRALBVCAM1MEN1KMT2A
SCHEMBL11525607 0.72 VCAM1 (0.39) TTRALBVCAM1MEN1KMT2A
SCHEMBL3679283 0.72 TTR (0.54) TTRALBVCAM1MEN1KMT2A
SCHEMBL3955231 0.72 TTR (0.42) TTRALBVCAM1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-10-20 US disclosed
WO-2020192042-A1 ELECTROLUMINESCENT MATERIAL, METHOD FOR PREPARING ELECTROLUMINESCENT MATERIAL, AND LIGHT-EMITTING DEVICE 武汉华星光电半导体显示技术有限公司 2020-10-01 WO disclosed
US-10693086-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-06-23 US 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-10693086-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 TTR 2552/4885ALB 1141/4885VCAM1 2058/4885
US-10811622-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and diagnostic composition including the organometallic compound ORC3, LEF1, OCIAD1 TTR 2552/4885ALB 1141/4885VCAM1 2058/4885

“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.