SCHEMBL6230728

SCHEMBL6230728

COc1ccc(/C=C/c2nc3ccccc3c(=O)[nH]2)cc1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.82
▸ NPC1 O15118 8/20 0.82
▸ RAB9A P51151 8/20 0.82
▸ MEN1 O00255 6/20 0.82
▸ TUBB4A P04350 5/20 0.70
▸ TUBB P07437 5/20 0.70
▸ TUBA3C P0DPH7 5/20 0.70
▸ TUBA1B P68363 5/20 0.70
▸ TUBA4A P68366 5/20 0.70
▸ TUBB4B P68371 5/20 0.70
▸ TUBB3 Q13509 5/20 0.70
▸ TUBB2A Q13885 5/20 0.70
▸ TUBB8 Q3ZCM7 5/20 0.70
▸ TUBA3E Q6PEY2 5/20 0.70
▸ TUBA1A Q71U36 5/20 0.70
▸ TUBA1C Q9BQE3 5/20 0.70
▸ TUBB6 Q9BUF5 5/20 0.70
▸ TUBB2B Q9BVA1 5/20 0.70
▸ TUBB1 Q9H4B7 5/20 0.70
▸ PSMD14 O00487 1/20 0.69

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
SCHEMBL6230731 1.00 KMT2A (0.82) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL17890294 0.88 KMT2A (1.00) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL17890297 0.88 KMT2A (1.00) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL27771769 0.84 KMT2A (0.61) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL17890026 0.84 TUBB4A (0.77) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL17890024 0.84 TUBB4A (0.77) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL1589647 0.82 PSEN1 (0.65) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL7625703 0.82 PSEN1 (0.65) KMT2ANPC1RAB9AMEN1TUBB4A
SCHEMBL6977895 0.81 PSEN1 (1.00) KMT2ANPC1RAB9AMEN1PSMD14
SCHEMBL1508832 0.80 TUBB4A (1.00) KMT2ANPC1RAB9AMEN1TUBB4A

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-6900219-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. (US) 2005-05-31 — — US disclosed
EP-1513534-A2 COMPOUNDS FOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2005-03-16 — — EP disclosed
US-20030220356-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-11-27 — — US disclosed
WO-2003084544-A2 COMPOUNDS DOR INCREASING ABCA-1 EXPRESSION USEFUL FOR TREATING CORONARY ARTERY DISEASE AND ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-10-16 — — 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-20030220356-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 KMT2A 3796/4885NPC1 6/4885RAB9A 2138/4885

“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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