SCHEMBL3366516

SCHEMBL3366516

OCCc1ccc(Cl)cc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.38
HTT P42858 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HIF1A Q16665 2/20 0.38
SLC22A1 O15245 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSPD1 P10809 1/20 0.38
HSPA5 P11021 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
BLM P54132 1/20 0.38
HSPE1 P61604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1197989 0.83 IDO1 (0.41) IDO1HTTCYP3A4MEN1MAPT
SCHEMBL31454434 0.83 IDO1 (0.41) IDO1HTTCYP3A4MEN1MAPT
SCHEMBL22288324 0.78 HTR2C (0.35) IDO1MAPTALDH1A1HTR2C
SCHEMBL963187 0.78 IDO1 (0.56) IDO1HTTCYP3A4HPGDCYP2C9
SCHEMBL5429266 0.77 FFAR1 (0.49) HTTMAPTHPGDALDH1A1NPSR1
SCHEMBL10537631 0.77 IDO1 (0.43) IDO1HTTCYP3A4MEN1MAPT
SCHEMBL31454441 0.76 IDO1 (0.41) IDO1HTTCYP3A4MEN1MAPT
SCHEMBL4608241 0.76 IDO1 (0.41) IDO1HTTCYP3A4MEN1MAPT
SCHEMBL3634811 0.75 PYCR1 (0.44) IDO1HTTCYP3A4MEN1MAPT
SCHEMBL7865951 0.75 SMN1; SMN2 (0.48) IDO1HTTCYP3A4MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324235-B2 Heterocyclic spiro-compounds NOVARTIS AG (CH) 2012-12-04 US disclosed
EP-2134720-B1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-10-13 EP disclosed
US-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2010-06-10 US disclosed
CN-101711252-A heterocyclic spiro-compounds NOVARTIS AG 2010-05-19 CN disclosed
EP-2134720-A1 HETEROCYCLIC SPIRO-COMPOUNDS Novartis Ag (CH) 2009-12-23 EP disclosed
WO-2008119744-A1 HETEROCYCLIC SPIRO-COMPOUNDS NOVARTIS AG (CH) 2008-10-09 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-20100144774-A1 HETEROCYCLIC SPIRO-COMPOUNDS REN, NR3C2, CYP21A2 IDO1 3827/4885HTT 3345/4885CYP3A4 135/4885

“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.