SCHEMBL19254853

SCHEMBL19254853

Ic1ncccc1-c1nnnn1I

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.37
KCNN4 O15554 1/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
NFKB1 P19838 1/20 0.31
CASP3 P42574 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
TRPA1 O75762 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
HSD11B1 P28845 1/20 0.30
MAPT P10636 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 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
SCHEMBL21465920 0.83 P2RX7 (0.43) P2RX7KCNN4
SCHEMBL22803123 0.81 HIF1A (0.38) P2RX7KCNN4ALDH1A1L3MBTL1NPC1
SCHEMBL19255485 0.77 KCNN4 (0.55) P2RX7KCNN4ALDH1A1NPC1RAB9A
SCHEMBL19255486 0.76 KCNN4 (0.35) P2RX7KCNN4ALDH1A1L3MBTL1NPC1
SCHEMBL20375446 0.73 KCNN4 (0.46) P2RX7KCNN4ALDH1A1L3MBTL1NPC1
SCHEMBL21130156 0.72
SCHEMBL20375444 0.72 CYP2A6 (0.46) P2RX7ALDH1A1NPC1RAB9ATSHR
SCHEMBL19255489 0.69 ALDH1A1 (0.36) P2RX7KCNN4ALDH1A1L3MBTL1TRPA1
SCHEMBL19255487 0.69 KCNN4 (0.35) P2RX7KCNN4ALDH1A1L3MBTL1TRPA1
SCHEMBL14063374 0.65 DRD1 (0.41) KCNN4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10923667-B2 Organometallic compound, composition containing the organometallic compound, and organic light-emitting device including the organometallic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-02-16 US disclosed
US-20210028374-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-01-28 US disclosed
US-20200199164-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-06-25 US disclosed
US-9735376-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-08-15 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 (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-20210028374-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME L1CAM, AP1M1, PYM1 P2RX7 3543/4885KCNN4 1721/4885ALDH1A1 368/4885
US-20200199164-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND L1CAM, MEN1, NOM1 P2RX7 4337/4885KCNN4 3513/4885ALDH1A1 287/4885
US-10923667-B2 Organometallic compound, composition containing the organometallic compound, and organic light-emitting device including the organometallic compound ORC3, LEF1, ODC1 P2RX7 3893/4885KCNN4 3349/4885ALDH1A1 185/4885

“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.