SCHEMBL19981412

SCHEMBL19981412

CCOC(=O)/C=C/C(=O)Nc1ccnc(-c2ccc(C)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
MAPT P10636 8/20 0.49
LMNA P02545 5/20 0.49
HTT P42858 1/20 0.49
AURKA O14965 1/20 0.48
ALDH1A1 P00352 5/20 0.48
THRB P10828 1/20 0.48
MDM2 Q00987 1/20 0.46
POLB P06746 1/20 0.44
EGFR P00533 1/20 0.44
KDM1A O60341 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL30271573 1.00 KMT2A (0.50) KMT2AMEN1NPC1HSP90AA1PKM
Formic Acid SCHEMBL30271566 0.97 KMT2A (0.47) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL19981591 0.91 KMT2A (0.50) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL19981477 0.91 MAPT (0.57) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL30271565 0.91 KMT2A (0.50) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL19981410 0.88 AURKA (0.53) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL30271569 0.88 AURKA (0.53) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL23657122 0.85 LMNA (0.52) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL30271564 0.85 LMNA (0.52) KMT2AMEN1NPC1HSP90AA1PKM
SCHEMBL19974204 0.84 NMT1 (0.60) KMT2ANPC1MAPTALDH1A1POLB

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
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 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 (2 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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 KMT2A 3452/4885MEN1 4586/4885NPC1 3462/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 KMT2A 3452/4885MEN1 4586/4885NPC1 3462/4885

“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.