SCHEMBL2856863

SCHEMBL2856863

Cc1ccc2cccc(I)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.59
CCR1 P32246 1/20 0.58
RAB9A P51151 1/20 0.58
CCR5 P51681 1/20 0.58
PARP1 P09874 1/20 0.50
GLO1 Q04760 2/20 0.47
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
AGTR1 P30556 1/20 0.42
PAX8 Q06710 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BDKRB2 P30411 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
SCHEMBL20470721 0.77 CYP3A4 (0.37) METAP2CCR1CCR5CYP1A2MAPT
SCHEMBL806441 0.77 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL2115749 0.77 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL24694311 0.76 CCR1 (0.61) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL29367091 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL29639703 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL124563 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
Neocuproine SCHEMBL11672280 0.75 CCR1 (1.00) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL14988789 0.75 METAP2 (0.60) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL18544257 0.75 MTNR1A (0.47) RAB9AMEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458444-B1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF UNIV TAIPEI MEDICAL (TW) 2022-06-22 EP disclosed
WO-2021013163-A1 HISTONE DEACETYLASE 6 INHIBITORS AND METHOD FOR TREATING NEUROPATHIC PAIN TAIPEI MEDICAL UNIVERSITY (CN) 2021-01-28 WO disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
WO-2017200966-A1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF DCB-USA LLC (US) 2017-11-23 WO disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
US-20170133599-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-05-11 US disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
WO-2015188194-A1 COMPOSITIONS AND METHODS FOR ENHANCED INTESTINAL ABSORPTION OF CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2015-12-10 WO disclosed
WO-2015179693-A1 CONJUGATED ANTISENSE COMPOUNDS AND THEIR USE ISIS PHARMACEUTICALS, INC. (US) 2015-11-26 WO disclosed
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 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 (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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 METAP2 1054/4885CCR1 519/4885RAB9A 1898/4885

“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.