SCHEMBL4647191

SCHEMBL4647191

Cc1cc(F)c([N+](=O)[O-])cc1OC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.43
TDP1 Q9NUW8 2/20 0.40
ESPL1 Q14674 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 1/20 0.39
EGFR P00533 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CYP19A1 P11511 2/20 0.37
RAB9A P51151 2/20 0.37
VCAM1 P19320 1/20 0.37
LMNA P02545 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL10440382 0.87 ESPL1 (0.40) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL29739211 0.87 ESPL1 (0.40) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL14334529 0.83 PDK1 (0.44) PDK1TDP1ESPL1ATMALDH1A1
SCHEMBL9775686 0.83 PDK1 (0.48) PDK1TDP1ESPL1ATMALDH1A1
SCHEMBL4682718 0.83 PDK1 (0.42) PDK1TDP1ESPL1ATMALDH1A1
SCHEMBL29739457 0.81 ALDH1A1 (0.49) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL187546 0.81 ALDH1A1 (0.49) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL24696891 0.81 TDP1 (0.40) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL30892386 0.81 TDP1 (0.40) TDP1ESPL1ATMALDH1A1HIF1A
SCHEMBL16024942 0.81 ALDH1A1 (0.43) PDK1TDP1ATMALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4278014-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
EP-4277901-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics, Inc. (US) 2023-11-22 EP disclosed
WO-2022152821-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
WO-2022152822-A1 TREATMENT OF MYC-DRIVEN CANCERS WITH GSPT1 DEGRADERS MONTE ROSA THERAPEUTICS AG (CH) 2022-07-21 WO disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 PDK1 1382/4885TDP1 2775/4885ESPL1 3440/4885

“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.