SCHEMBL16611151

SCHEMBL16611151

Clc1nccc2c1c(I)nn2Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.40
ACHE P22303 2/20 0.40
CNR2 P34972 2/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
CSF1R P07333 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC9A1 P19634 1/20 0.36
GRM2 Q14416 1/20 0.36
TNF P01375 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 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
SCHEMBL883677 0.82 CNR1 (0.45) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL31272944 0.82 CNR1 (0.45) CNR1CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL31564694 0.81 RORC (0.38) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL31564699 0.81 RORC (0.38) ALDH1A1MEN1KMT2ALMNAGAA
SCHEMBL16610939 0.81 CNR1 (0.43) CNR1ACHECNR2KDM4EALDH1A1
SCHEMBL30498069 0.78 ADORA2A (0.35) KDM4EALDH1A1SLC9A1LMNA
SCHEMBL2047746 0.75 KDM4E (0.42) CNR1ACHECNR2KDM4ECSF1R
SCHEMBL1898956 0.71 CNR1 (0.58) CNR1ACHECNR2KDM4EALDH1A1
SCHEMBL13966385 0.71 RXFP1 (0.39)
SCHEMBL30566171 0.71 RXFP1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160251352-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2016-09-01 US disclosed
US-9371320-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-21 US disclosed
US-20150141406-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-21 US disclosed
EP-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 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 (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-20160251352-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885ACHE 4407/4885CNR2 2611/4885
US-20150141406-A1 HETEROCYCLIC COMPOUND JAK2, JAK1, STAT3 CNR1 3168/4885ACHE 4407/4885CNR2 2611/4885

“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.