Iodide

Iodide

SCHEMBL1485887

I.O=C(Cc1ccncc1)c1ccccc1Br

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNG

The experimentally established mechanism targets of Iodide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 3/20 0.56
HPGD P15428 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP19A1 P11511 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.41
MAPK1 P28482 1/20 0.41
ELANE P08246 1/20 0.41
PLOD2 O00469 1/20 0.40
PLOD3 O60568 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
Bromide SCHEMBL2691175 0.97 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL3132603 0.84 HPGD (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
Bromide SCHEMBL2691231 0.80 HPGD (0.62) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL5258963 0.78 MAPK1 (0.60) ALDH1A1SMN1; SMN2CYP19A1L3MBTL1MAPT
SCHEMBL11620182 0.78 LMNA (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL1156806 0.78 JAK2 (0.53) ALDH1A1SMN1; SMN2CYP19A1MAPTGAA
SCHEMBL6200370 0.78 L3MBTL1 (0.54) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL11146920 0.77 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
Bromide SCHEMBL8967719 0.77 MAPK1 (0.59) ALDH1A1SMN1; SMN2CYP19A1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL3251439 0.77 CYP19A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2128159-B1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2017-08-16 EP disclosed
US-9525140-B2 Arylamine compound useful in an organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2016-12-20 US disclosed
EP-2299509-B1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO LTD (JP) 2016-06-29 EP disclosed
CN-104617229-A Organic electroluminescent device HODOGAYA CHEMICAL CO LTD 2015-05-13 CN disclosed
US-8771841-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2014-07-08 US disclosed
US-20140039221-A1 ARYLAMINE COMPOUND USEFUL IN AN ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2014-02-06 US disclosed
CN-103553935-A Organic electroluminescent device HODOGAYA CHEMICAL CO LTD 2014-02-05 CN disclosed
EP-2677562-A2 Arylamines for organic electroluminescent devices Hodogaya Chemical Co., Ltd. (JP) 2013-12-25 EP disclosed
EP-2383816-B1 Organic electroluminescent device HODOGAYA CHEMICAL CO LTD (JP) 2013-03-27 EP disclosed
US-8252431-B2 Compound wherein substituted bipyridyl group is connected with pyridoindole ring structure through phenylene group, and organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2012-08-28 US disclosed
EP-2383816-A1 Organic electroluminescent device Hodogaya Chemical Co., Ltd. (JP) 2011-11-02 EP disclosed
CN-102027613-A Organic electroluminescent device HODOGAYA CHEMICAL CO LTD 2011-04-20 CN disclosed
US-20110073852-A1 ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2299509-A1 ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2011-03-23 EP disclosed
US-20100123388-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2010-05-20 US disclosed
EP-2128159-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE Hodogaya Chemical Co., Ltd. (JP) 2009-12-02 EP 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 (1 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-20100123388-A1 COMPOUND WHEREIN SUBSTITUTED BIPYRIDYL GROUP IS CONNECTED WITH PYRIDOINDOLE RING STRUCTURE THROUGH PHENYLENE GROUP, AND ORGANIC ELECTROLUMINESCENT DEVICE SLCO4C1, PNPO, EPHA1 ALDH1A1 400/4885KDM4E 1051/4885HPGD 1991/4885

“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.