SCHEMBL1965077

SCHEMBL1965077

COc1c[c]c(I)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
TAAR1 Q96RJ0 1/20 0.35
NPSR1 Q6W5P4 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPK1 P28482 2/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL1096975 0.80 CYP3A4 (0.37) NPC1MAPTALDH1A1MAPK1POLB
SCHEMBL1095882 0.78 GAA (0.43) GAANPC1TAAR1NPSR1MAPT
SCHEMBL219318 0.77 GAA (0.42) GAANPC1TAAR1NPSR1MAPT
SCHEMBL718547 0.75 NPC1 (0.41) GAANPC1TAAR1NPSR1MAPT
SCHEMBL1097066 0.75 GAA (0.41) GAANPC1TAAR1NPSR1MAPT
SCHEMBL1966175 0.75 LMNA (0.35) MAPTMAPK1RAB9ALMNA
SCHEMBL1965247 0.75 POLB (0.38) TAAR1NPSR1MAPTALDH1A1POLB
SCHEMBL28158807 0.69 HTR2C (0.38) GAANPC1TAAR1ALDH1A1KMT2A
Chloroneb SCHEMBL22739 0.69 GAA (0.64) GAANPC1TAAR1NPSR1MAPT
SCHEMBL9653355 0.68 MAPT (0.40) GAANPC1MAPTALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4397691-B2 2010-01-13 JP claimed
US-20080125446-A1 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2008-05-29 US claimed
US-7241890-B2 Purine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-10 US claimed
JP-2005511565-A 2005-04-28 JP claimed
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-03-03 US claimed
EP-1440072-A4 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTIC CORP (US) 2005-02-02 EP claimed
EP-1440072-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY Conforma Therapeutic Corporation (US) 2004-07-28 EP claimed
WO-2003037860-A2 PURINE ANALOGS HAVING HSP90-INHIBITING ACTIVITY CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-08 WO claimed
EP-2336133-A1 Purine analogs having HSP90-inhibiting activity Conforma Therapeutics Corporation (US) 2011-06-22 EP 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-20080125446-A1 Purine analogs having HSP90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 GAA 334/4885NPC1 2358/4885TAAR1 3622/4885
US-20050049263-A1 Purine analogs having hsp90-inhibiting activity HSP90B1, HSP90AB1, HSP90AA1 GAA 334/4885NPC1 2358/4885TAAR1 3622/4885

“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.