SCHEMBL556995

SCHEMBL556995

Ic1ccc2ccc3ccc(I)nc3c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.43
CCR5 P51681 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MMP2 P08253 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
MMP9 P14780 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
MMP8 P22894 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL11131062 0.81 CCR1 (0.70) CCR1CCR5KDM4EGMNNLMNA
SCHEMBL15593262 0.78 CCR1 (0.38) CCR1CCR5RAB9ACCR8
SCHEMBL18963352 0.77 CYP2A6 (0.48) RAB9AKDM4ELMNACYP3A4MAPT
SCHEMBL5183354 0.77 KDM4E (0.33) KDM4ELMNATP53HSP90AA1CYP3A4
SCHEMBL3215551 0.75 METAP2 (0.59) RAB9AKDM4ELMNATP53HSP90AA1
SCHEMBL16535454 0.75 BACE1 (0.59) CCR1CCR5RAB9AKDM4EGMNN
SCHEMBL19044615 0.75 AR (0.44) CCR1CCR5RAB9AKDM4EGMNN
SCHEMBL19044445 0.74 CYP2A6 (0.41) CCR1CCR5RAB9AKDM4EGMNN
SCHEMBL19044504 0.69 CCR1 (0.34) CCR1CCR5RAB9ACCR8
SCHEMBL20928077 0.66 KMT2A (0.44) CCR1CCR5RAB9AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159334-A1 NITROGEN-CONTAINING CARBON MATERIAL AND METHOD FOR PRODUCING SAME NICHIA CORPORATION (JP) 2023-05-25 US disclosed
US-20210062251-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS Roche Sequencing Solutions, Inc. 2021-03-04 US disclosed
US-20210028367-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-01-28 US disclosed
US-20120032158-A1 Charge transport compositions and electronic devices made with such compositions E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-09 US disclosed
US-8071975-B2 Electronic devices made with electron transport and/or anti-quenching layers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-12-06 US disclosed
US-20090121617-A1 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS LG CHEM, LTD. (KR) 2009-05-14 US disclosed
US-20070267968-A1 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS LECLOUX DANIEL D 2007-11-22 US disclosed
US-7265378-B2 Electronic devices made with electron transport and/or anti-quenching layers E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-09-04 US disclosed
US-7119204-B2 Charge transport compositions and electronic devices made with such compounds E.I. DU PONT DE NEMOURS AND COMPANY (US) 2006-10-10 US disclosed
US-6962995-B2 Charge transport compositions and electronic devices made with such compositions E. I. DU PONT DE NEMOURS AND COMPANY (US) 2005-11-08 US disclosed
US-20050236980-A1 Charge transport compositions and electronic devices made with such compounds LG CHEM, LTD. (KR) 2005-10-27 US disclosed
EP-1519935-A2 CHARGE TRANSPORT COMPOSITIONS COMPRISING FLUORINATED PHENANTHROLINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-04-06 EP disclosed
EP-1520452-A2 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2005-04-06 EP disclosed
US-20040068115-A1 Charge transport compositions and electronic devices made with such compositions LG CHEM, LTD. (KR) 2004-04-08 US disclosed
US-20040066135-A1 Electronic devices made with electron transport and/or anti-quenching layers LG CHEM, LTD. (KR) 2004-04-08 US disclosed
WO-2004006352-A2 ELECTRONIC DEVICES MADE WITH ELECTRON TRANSPORT AND/OR ANTI-QUENCHING LAYERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-01-15 WO disclosed
WO-2004005288-A2 CHARGE TRANSPORT COMPOSITIONS COMPRISING FLUORINATED PHENANTHROLINE DERIVATIVES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-01-15 WO 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-20210028367-A1 ANTHRACENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CRY1, AHR CCR1 2497/4885CCR5 4083/4885RAB9A 3144/4885
US-20050236980-A1 Charge transport compositions and electronic devices made with such compounds SLC26A3, SLC18A3, SLC6A19 CCR1 1129/4885CCR5 2087/4885RAB9A 1177/4885
US-20210062251-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS POLN, POLB, POLRMT CCR1 2386/4885CCR5 1861/4885RAB9A 3630/4885
US-20230159334-A1 NITROGEN-CONTAINING CARBON MATERIAL AND METHOD FOR PRODUCING SAME NPM1, NCLN, C5 CCR1 607/4885CCR5 2230/4885RAB9A 2825/4885

“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.