SCHEMBL6230729

SCHEMBL6230729

O=C(Nc1nc2c(Cl)cccc2s1)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MAPK1 P28482 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
ALDH1A1 P00352 3/20 0.54
GAA P10253 2/20 0.54
ALOX15 P16050 1/20 0.54
LRRK2 Q5S007 2/20 0.53
USP2 O75604 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 4/20 0.53
MAPT P10636 4/20 0.53
TP53 P04637 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL4909726 0.83 KMT2A (0.56) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL6227031 0.82 DUSP3 (0.56) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL4909148 0.81 NPC1 (0.74) KMT2AMEN1LRRK2NPC1RAB9A
SCHEMBL4921080 0.79 RAB9A (0.57) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL15756371 0.78 MAPK1 (0.62) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL4919372 0.78 LCK (0.57) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL13329187 0.77 HPGDS (0.69) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL12199338 0.77 HPGDS (0.69) TSHRKMT2AMEN1ALDH1A1GAA
SCHEMBL6228041 0.77 DUSP3 (0.71) TSHRMAPK1NPSR1KMT2AMEN1
SCHEMBL30754208 0.76 DYRK1A (0.71) TSHRMAPK1NPSR1KMT2AMEN1

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 TSHR 3699/4885MAPK1 2892/4885NPSR1 3111/4885

“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.