SCHEMBL10201397

SCHEMBL10201397

Clc1ncc(I)c(OCc2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 5/20 0.59
L3MBTL1 Q9Y468 1/20 0.44
PDE5A O76074 1/20 0.41
SLC6A4 P31645 1/20 0.40
CNR1 P21554 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
MGMT P16455 2/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
APP P05067 1/20 0.39

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
SCHEMBL22323930 0.82 APP (0.50) PIN1CNR1CNR2ALDH1A1LMNA
SCHEMBL30756269 0.81 PIN1 (0.59) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL30683113 0.81 PIN1 (0.59) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL9987642 0.81 PIN1 (0.59) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL12423709 0.81 PIN1 (0.59) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL2489391 0.78 PIN1 (0.57) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL31514805 0.78 PIN1 (0.60) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL17674483 0.77 PIN1 (0.59) PIN1CNR1ALDH1A1
SCHEMBL2489239 0.77 PIN1 (0.56) PIN1L3MBTL1PDE5ASLC6A4CNR1
SCHEMBL18338730 0.77 PIN1 (0.56) PIN1L3MBTL1PDE5ASLC6A4CNR1

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-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
EP-2840080-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2017-12-06 EP disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 EP disclosed
EP-2840080-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF Fujifilm Corporation (JP) 2015-02-25 EP disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
WO-2013157540-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF 富士フイルム株式会社 (JP) 2013-10-24 WO disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 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 (2 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 PIN1 3269/4885L3MBTL1 4251/4885PDE5A 1595/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 PIN1 631/4885L3MBTL1 4865/4885PDE5A 1273/4885

“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.