SCHEMBL5992310

SCHEMBL5992310

O=[C]C(NC(=O)c1c[nH]c2ccccc12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ GPR84 Q9NQS5 1/20 0.50
▸ NPC1 O15118 2/20 0.48
▸ NR4A2 P43354 2/20 0.48
▸ CREBBP Q92793 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PBRM1 Q86U86 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46

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
SCHEMBL7256851 0.83 KMT2A (0.58) KMT2AMEN1GPR84NPC1NR4A2
SCHEMBL13753409 0.77 NR4A2 (0.64) KMT2AMEN1GPR84NPC1NR4A2
SCHEMBL29113776 0.76 ALDH1A1 (0.56) KMT2AGPR84NPC1NR4A2CREBBP
SCHEMBL1586378 0.76 ALDH1A1 (0.56) KMT2AGPR84NPC1NR4A2CREBBP
SCHEMBL13753458 0.74 ALDH1A1 (0.57) KMT2AMEN1GPR84NPC1NR4A2
SCHEMBL9387748 0.74 POLB (0.54) KMT2ANPC1ALDH1A1RAB9A
SCHEMBL29511928 0.74 KMT2A (0.54) KMT2AMEN1GPR84NPC1NR4A2
Hydrochloric Acid SCHEMBL29435427 0.74 GPR84 (0.74) KMT2AMEN1GPR84NPC1NR4A2
SCHEMBL27837528 0.74 GPR84 (0.74) KMT2AMEN1GPR84NPC1NR4A2
Hydrochloric Acid SCHEMBL7437913 0.74 GPR84 (0.74) KMT2AMEN1GPR84NPC1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0917462-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-09-13 — — EP disclosed
US-20060030553-A1 Cell adhesion inhibitors ZHENG ZHONGLI 2006-02-09 — — US disclosed
US-6949534-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2005-09-27 — — US disclosed
US-20040053907-A1 Cell adhesion inhibitors BIOGEN, INC. A MASSACHUSETTS CORPORATION. 2004-03-18 — — US disclosed
US-6686350-B1 Cell adhesion inhibitors BIOGEN, INC. 2004-02-03 — — US disclosed
EP-0917462-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1999-05-26 — — EP disclosed
WO-1998004247-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-02-05 — — 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 (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-20040053907-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885MEN1 1437/4885GPR84 1870/4885
US-20060030553-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885MEN1 1437/4885GPR84 1870/4885

“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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