SCHEMBL4794903

SCHEMBL4794903

Cc1cccc(N(c2ccccc2)c2ccc(I)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ ACHE P22303 2/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PAX8 Q06710 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 2/20 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
SCHEMBL20408137 0.96 ACHE (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL5357367 0.95 HSD17B1 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL19301928 0.91 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL13017732 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL13721286 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL7169458 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL13721235 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL22812841 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL13721082 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1
SCHEMBL10039954 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19TDP1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 — — EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 — — US disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 — — US disclosed
EP-3309804-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION AND OXIDE SEMICONDUCTOR ELECTRODE Fujifilm Corporation (JP) 2018-04-18 — — EP disclosed
EP-2984079-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES Power Oleds Limited (GB) 2016-02-17 — — EP disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 — — US disclosed
WO-2014167286-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2014-10-16 — — WO disclosed
US-20080241591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2008-10-02 — — US disclosed
US-7399537-B2 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2008-07-15 — — US disclosed
US-20060082294-A1 Organic electroluminescence device and phenylenediamine derivative IDEMITSU KOSAN CO., LTD. (JP) 2006-04-20 — — US disclosed
EP-0906947-B1 Indolocarbazole electroluminescent devices XEROX CORP (US) 2003-05-21 — — EP disclosed
US-6541129-B1 Having a long life time that can decrease the driving voltage; using a phenylenediamine material having a small ionization potential and exhibiting a large hole mobility IDEMITSU KOSAN CO., LTD. (JP) 2003-04-01 — — US disclosed
EP-0906948-B1 Electroluminescent devices XEROX CORP (US) 2003-02-12 — — EP disclosed
EP-1029909-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE Idemitsu Kosan Co., Ltd. (JP) 2000-08-23 — — EP disclosed
US-5952115-A Electroluminescent devices XEROX CORPORATION (US) 1999-09-14 — — US disclosed
US-5942340-A CHARGE TRANSPORTING COMPONENT CONTAINING INDOLOCARBAZOLE COMPOUND; ENHANCED THERMAL AND OPERATIONAL STABILITY, DURABILITY XEROX CORPORATION (US) 1999-08-24 — — US disclosed
EP-0908787-A2 Indolocarbazole Photoconductors Xerox Corporation (US) 1999-04-14 — — EP disclosed
EP-0906947-A1 Indolocarbazole electroluminescent devices XEROX CORPORATION (US) 1999-04-07 — — EP disclosed
EP-0906948-A1 Electroluminescent devices Xerox Corporation (US) 1999-04-07 — — EP disclosed
US-5843607-A Indolocarbazole photoconductors XEROX CORPORATION (US) 1998-12-01 — — 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 (4 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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 ALDH1A1 789/4885CYP3A4 384/4885CYP2C9 460/4885
US-20080241591-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND PHENYLENEDIAMINE DERIVATIVE MAL2, L1CAM, EPCAM ALDH1A1 734/4885CYP3A4 710/4885CYP2C9 820/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 ALDH1A1 789/4885CYP3A4 384/4885CYP2C9 460/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 ALDH1A1 789/4885CYP3A4 384/4885CYP2C9 460/4885

“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.

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