SCHEMBL6005124

SCHEMBL6005124

S=[C]NCN1c2ccccc2Oc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 10/20 0.38
SIGMAR1 Q99720 1/20 0.36
HDAC3 O15379 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
HDAC4 P56524 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
HDAC1 Q13547 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
SCHEMBL6008478 0.82 P2RX4 (0.41) P2RX4SIGMAR1HDAC3HDAC6TUBB4A
SCHEMBL6005017 0.75 KDM1A (0.45) SIGMAR1PIM1MEN1KMT2A
SCHEMBL6007994 0.71 HPGD (0.38) HDAC6HDAC1KMT2A
SCHEMBL30764130 0.69 P2RX4 (0.49) P2RX4SIGMAR1HDAC3HDAC6P2RX1
SCHEMBL762288 0.69 P2RX4 (0.49) P2RX4SIGMAR1HDAC3HDAC6P2RX1
SCHEMBL16519524 0.69 P2RX4 (0.44) P2RX4SIGMAR1HDAC3HDAC6P2RX1
SCHEMBL18579885 0.69 P2RX4 (0.44) P2RX4SIGMAR1HDAC3HDAC6TUBB4A
SCHEMBL3964924 0.69 P2RX4 (0.48) P2RX4SIGMAR1HDAC3HDAC6TUBB4A
SCHEMBL3964920 0.69 P2RX4 (0.48) P2RX4SIGMAR1HDAC3HDAC6P2RX1
SCHEMBL24039969 0.68 MAOA (0.47) P2RX4SIGMAR1HDAC3HDAC6P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 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 (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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 P2RX4 2141/4885SIGMAR1 438/4885HDAC3 75/4885

“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.