SCHEMBL6225348

SCHEMBL6225348

Cc1ccc2nc(C(C#N)=Cc3ccco3)[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.64
▸ THRB P10828 3/20 0.64
▸ KMT2A Q03164 6/20 0.62
▸ LMNA P02545 6/20 0.62
▸ MEN1 O00255 5/20 0.62
▸ HTT P42858 3/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ GAA P10253 1/20 0.62
▸ CTNNB1 P35222 1/20 0.62
▸ POLB P06746 9/20 0.62
▸ TP53 P04637 7/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ RAB9A P51151 3/20 0.61
▸ BLM P54132 2/20 0.61
▸ NSD2 O96028 1/20 0.61
▸ CASP3 P42574 1/20 0.61
▸ SENP8 Q96LD8 1/20 0.61

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
SCHEMBL6225340 0.91 MAPT (0.53) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL6225344 0.91 MAPT (0.53) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL15281361 0.77 MAPT (1.00) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL24553551 0.69 MAPT (0.58) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL5607176 0.68 KMT2A (0.56) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL3006584 0.68 KMT2A (0.59) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL30811094 0.67 MAPT (0.75) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL24553735 0.67 MAPT (0.75) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL10476385 0.66 KMT2A (0.73) MAPTSMN1; SMN2THRBKMT2ALMNA
SCHEMBL10476383 0.66 KMT2A (0.73) MAPTSMN1; SMN2THRBKMT2ALMNA

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 MAPT 4100/4885SMN1; SMN2 4558/4885THRB 1762/4885

“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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