SCHEMBL24099262

SCHEMBL24099262

O=C(CCCCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.67
HPGD P15428 4/20 0.67
HSD17B10 Q99714 2/20 0.59
KMT2A Q03164 2/20 0.59
HDAC8 Q9BY41 3/20 0.58
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
POLB P06746 1/20 0.56
ACHE P22303 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL24099161 0.99 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10KMT2AHDAC8
SCHEMBL7345361 0.88 SMN1; SMN2 (0.63) ALDH1A1HPGDHSD17B10KMT2APOLB
SCHEMBL17267467 0.87 HDAC8 (0.61) ALDH1A1HPGDHSD17B10KMT2AHDAC8
SCHEMBL8373956 0.86 TDP1 (0.59) ALDH1A1HPGDKMT2AHDAC8HDAC3
SCHEMBL28882520 0.84 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KMT2AHDAC8
SCHEMBL8562369 0.82 SMN1; SMN2 (0.56) ALDH1A1HPGDHSD17B10KMT2AHDAC8
SCHEMBL24798048 0.81 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10KMT2AHDAC8
SCHEMBL14288291 0.81 NPC1 (0.69) ALDH1A1HSD17B10KMT2APOLBNPC1
SCHEMBL696173 0.79 GSK3B (0.71) ALDH1A1HPGDHSD17B10KMT2APOLB
SCHEMBL9680984 0.78 NPC1 (0.87) ALDH1A1HSD17B10KMT2AHDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867532-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-03-28 CN disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
WO-2021252849-A1 INHIBITORS OF APOL1 AND USE OF THE SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-12-16 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-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 ALDH1A1 1965/4885HPGD 2373/4885HSD17B10 565/4885

“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.