SCHEMBL8528870

SCHEMBL8528870

CNC(=O)n1cc(C)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TFPI2 P48307 1/20 0.47
KMT2A Q03164 7/20 0.45
MEN1 O00255 4/20 0.45
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
FABP4 P15090 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL8528867 0.83 KMT2A (0.43) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8527700 0.82 MEN1 (0.46) TFPI2KMT2AMEN1HDAC1HDAC2
SCHEMBL27887683 0.82 TFPI2 (0.51) TFPI2KMT2AMEN1HDAC1HDAC2
SCHEMBL30622597 0.80 TFPI2 (0.54) TFPI2KMT2AMEN1HDAC1HDAC2
SCHEMBL2594979 0.80 TFPI2 (0.54) TFPI2KMT2AMEN1HDAC1HDAC2
SCHEMBL887130 0.80 CREBBP (0.55) TFPI2KMT2AMEN1MAPTALDH1A1
SCHEMBL12479933 0.80 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8076273 0.79 KMT2A (0.67) TFPI2KMT2AMEN1HDAC1HDAC2
SCHEMBL13967298 0.79 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL18856031 0.79 TFPI2 (0.49) TFPI2KMT2AMEN1HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960569-B2 Such as 3-(2-isopropylphenyl)-N-phenyl-1H-indol-1-carboxamide; purinergic receptors (P2Y1) BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 US disclosed
US-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2008-09-11 US disclosed
EP-0460679-B1 Endothelin antagonistic peptide derivatives BANYU PHARMA CO LTD (JP) 1998-10-28 EP disclosed
US-5691315-A CARDIOVASCULAR DISORDERS; VASODILATOR; BRONCHODILATOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 US disclosed
US-5470833-A Vasodilators, bronchodilators BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-11-28 US disclosed
US-5444152-A Vasolidator or bronchodilator BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-22 US 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-20080221197-A1 INDOLE ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY13 TFPI2 261/4885KMT2A 4043/4885MEN1 1104/4885

“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.