SCHEMBL719102

SCHEMBL719102

OC(c1nn(-c2ccccc2)c2ccccc12)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
TDO2 P48775 4/20 0.39
LMNA P02545 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SLC2A1 P11166 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDE5A O76074 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA1 P30542 2/20 0.37
ADORA2A P29274 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 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
SCHEMBL721320 0.84 L3MBTL1 (0.40) IDO1L3MBTL1HTTLMNAPKM
SCHEMBL718461 0.81 HTR3E (0.44) IDO1L3MBTL1HTTTDO2LMNA
SCHEMBL717278 0.80 IDO1 (0.41) IDO1TDO2KDM4ESLC2A1ALDH1A1
SCHEMBL1712075 0.67 ADORA3 (0.45) IDO1TDO2NPSR1ADORA3ADORA1
SCHEMBL3161095 0.66 PDE5A (0.48) L3MBTL1KDM4EALDH1A1PDE5APOLB
SCHEMBL16995185 0.65 IDO1 (0.53) IDO1L3MBTL1LMNAKDM4ETSHR
SCHEMBL1430742 0.65 IDO1 (0.53) IDO1L3MBTL1LMNAKDM4ETSHR
SCHEMBL477416 0.65 IDO1 (0.53) IDO1L3MBTL1LMNAKDM4ETSHR
SCHEMBL477415 0.65 IDO1 (0.53) IDO1L3MBTL1LMNAKDM4ETSHR
SCHEMBL720433 0.65 P2RX7 (0.41) IDO1HTTTDO2LMNAPKM

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885L3MBTL1 4088/4885HTT 1337/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885L3MBTL1 4088/4885HTT 1337/4885

“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.