SCHEMBL6225344

SCHEMBL6225344

Cc1ccc2[nH]c(/C(C#N)=C\c3ccco3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 14/20 0.53
▸ SMN1; SMN2 Q16637 10/20 0.53
▸ THRB P10828 2/20 0.53
▸ KMT2A Q03164 14/20 0.52
▸ MEN1 O00255 12/20 0.52
▸ LMNA P02545 7/20 0.52
▸ NPC1 O15118 5/20 0.52
▸ HTT P42858 3/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ GAA P10253 2/20 0.52
▸ CTNNB1 P35222 1/20 0.52
▸ POLB P06746 12/20 0.51
▸ TP53 P04637 4/20 0.51
▸ TDP1 Q9NUW8 2/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ RAB9A P51151 9/20 0.50
▸ BLM P54132 2/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50

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 1.00 MAPT (0.53) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL6225348 0.91 MAPT (0.64) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL6720220 0.71 MAPT (0.63) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL5607176 0.68 KMT2A (0.56) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL28379872 0.68 PIN1 (0.58) MAPTSMN1; SMN2KMT2AMEN1LMNA
SCHEMBL15281361 0.68 MAPT (1.00) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL3006584 0.68 KMT2A (0.59) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL10476383 0.66 KMT2A (0.73) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL10476385 0.66 KMT2A (0.73) MAPTSMN1; SMN2THRBKMT2AMEN1
SCHEMBL12351279 0.65 MEN1 (0.65) MAPTSMN1; SMN2THRBKMT2AMEN1

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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