SCHEMBL3298860

SCHEMBL3298860

OCc1ccccc1C1=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC(=N2)C(c2ccccc2)=C2C=CC1=N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ DPP4 P27487 2/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ ADORA2A P29274 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ GPR68 Q15743 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ BCL2L1 Q07817 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ FOLH1 Q04609 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ KCNA5 P22460 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ ABL1 P00519 1/20 0.31

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
SCHEMBL29239614 0.81 TSHR (0.42) ADORA2AABL1EGFRSRCABL2
SCHEMBL9404581 0.81 HPGD (0.47) KMT2AADORA2AALDH1A1HPGDBCL2L1
SCHEMBL28180007 0.79 ALDH1A1 (0.35) KMT2AALDH1A1HPGDNOTUM
SCHEMBL27979361 0.79 ALDH1A1 (0.35) KMT2AALDH1A1HPGDNOTUM
SCHEMBL14562749 0.79 ALDH1A1 (0.35) KMT2AALDH1A1HPGDNOTUM
SCHEMBL7996476 0.79 ALDH1A1 (0.35) KMT2AALDH1A1HPGDNOTUM
SCHEMBL2517442 0.79 ALDH1A1 (0.35) KMT2AALDH1A1HPGDNOTUM
SCHEMBL28807262 0.79 ALDH1A1 (0.35) KMT2AALDH1A1HPGDNOTUM
SCHEMBL8349665 0.78 ALDH1A1 (0.47) ADORA2ATDO2ALDH1A1HPGDHSD17B10
SCHEMBL28121946 0.78 ALDH1A1 (0.47) ADORA2ATDO2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494694-B1 Photo-active backbone cyclized somatostatin analogs for photodynamic therapy and imaging DEVELOGEN ISRAEL LTD (IL) 2013-05-08 — — EP disclosed
US-7700717-B2 Photo-active backbone cyclized somatostatin analogs for photodynamic therapy and imaging DEVELOGEN ISRAEL LTD. (IL) 2010-04-20 — — US disclosed
US-20050090429-A1 Photo-active backbone cyclized somatostatin analogs for photodynamic therapy and imaging TEL HASHOMER - MEDICAL RESEARCH, INFRASTRUCTURE AND SERVICES LTD. (IL) 2005-04-28 — — 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 (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-20050090429-A1 Photo-active backbone cyclized somatostatin analogs for photodynamic therapy and imaging SSTR4, SSTR1, SSTR3 PDCD1 1217/4885CD274 1563/4885DPP4 394/4885

“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.

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