SCHEMBL657218

SCHEMBL657218

O=C(NCCF)c1cc(-c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2Oc2ccc([N+](=O)[O-])cc2)[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.51
HSP90AB1 P08238 3/20 0.51
FFAR1 O14842 1/20 0.40
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
ACHE P22303 1/20 0.39
CYP19A1 P11511 1/20 0.39
PPIA P62937 2/20 0.38
PPIF P30405 1/20 0.38
PTGES O14684 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL10147699 0.94 HSP90AA1 (0.50) HSP90AA1HSP90AB1FFAR1MAPTMEN1
SCHEMBL656734 0.94 HSP90AA1 (0.43) HSP90AA1HSP90AB1FFAR1MAPTMEN1
SCHEMBL657321 0.87 MAPT (0.46) MAPTMEN1KMT2ALMNATDP1
SCHEMBL10147694 0.87 HSP90AA1 (0.42) HSP90AA1HSP90AB1FFAR1MAPTMEN1
SCHEMBL7893314 0.85 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL658092 0.85 HSP90AA1 (0.70) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL656618 0.83 MAOB (0.45) HSP90AA1MAPTMEN1KMT2ALMNA
SCHEMBL657147 0.82 HSP90AA1 (0.71) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL10147701 0.81 CYP19A1 (0.43) HSP90AA1HSP90AB1MAPTMEN1KMT2A
SCHEMBL10147496 0.79 HSP90AA1 (0.68) HSP90AA1HSP90AB1MAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885FFAR1 4698/4885

“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.