SCHEMBL3464752

SCHEMBL3464752

CC(C)NCCCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nc(C(N)=O)c1N

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
HSP90B1 P14625 4/20 0.41
TRAP1 Q12931 3/20 0.41
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL3465845 0.82 CYP1A2 (0.49) CYP1A2CYP2C19MEN1KMT2AL3MBTL1
SCHEMBL3464165 0.73 HSP90B1 (0.44) MEN1KMT2AHSP90B1TRAP1HSP90AA1
SCHEMBL3465264 0.72 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL3465260 0.70 HSP90AA1 (0.64) HSP90B1TRAP1HSP90AA1HSP90AB1
SCHEMBL3465442 0.68 RAB9A (0.46) MEN1KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL3464439 0.68 ALDH1A1 (0.40) MEN1KMT2AALDH1A1PKMLMNA
SCHEMBL13971466 0.66 MEN1 (0.35) MEN1KMT2AALDH1A1HSP90B1TRAP1
SCHEMBL3465261 0.65 HSP90AA1 (0.36) MEN1KMT2AHSP90B1TRAP1HSP90AA1
SCHEMBL7504702 0.65 L3MBTL1 (1.00) CYP1A2CYP2C19MEN1KMT2AL3MBTL1
SCHEMBL29827991 0.63 ALDH1A1 (0.73) CYP1A2CYP2C19MEN1KMT2AALDH1A1

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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US claimed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP claimed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO claimed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 CYP1A2 2145/4885CYP2C19 2136/4885MEN1 4594/4885

“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.