SCHEMBL20375446

SCHEMBL20375446

Cc1ccccc1-c1nnnn1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.46
P2RX7 Q99572 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 7/20 0.42
TSHR P16473 3/20 0.42
PKM P14618 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
STAT6 P42226 1/20 0.36
KMT2A Q03164 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
SCHEMBL19255485 0.81 KCNN4 (0.55) KCNN4P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL22786993 0.78 KCNN4 (0.47) KCNN4P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL16127295 0.77 KCNN4 (0.46) KCNN4P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL23072541 0.77 ALDH1A1 (0.42) P2RX7ALDH1A1L3MBTL1
SCHEMBL21465920 0.77 P2RX7 (0.43) KCNN4P2RX7
SCHEMBL23113874 0.74 ALDH1A1 (0.50) P2RX7SMN1; SMN2ALDH1A1TSHRPKM
SCHEMBL19254853 0.73 P2RX7 (0.37) KCNN4P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL14063374 0.72 DRD1 (0.41) KCNN4ALDH1A1
SCHEMBL3838617 0.70 AGTR1 (0.41) KCNN4P2RX7SMN1; SMN2NPC1RAB9A
SCHEMBL5815683 0.70 P2RX7 (0.81) KCNN4P2RX7LMNA

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-10944063-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-03-09 US disclosed
US-10446763-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-10-15 US disclosed
US-20180198080-A1 ORGANOMETALLIC COMPOUND, COMPOSITION CONTAINING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-07-12 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-10944063-B2 Organometallic compound and organic light-emitting device including the same CRY1, LEF1, POU2F1 KCNN4 3121/4885P2RX7 4206/4885SMN1; SMN2 3533/4885
US-20180198080-A1 ORGANOMETALLIC COMPOUND, COMPOSITION CONTAINING THE ORGANOMETALLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE LEF1, ORC3, CRY1 KCNN4 3382/4885P2RX7 3963/4885SMN1; SMN2 3684/4885

“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.