SCHEMBL5674301

SCHEMBL5674301

NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3cc(Cl)c(Cl)cc3Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 5/20 0.72
PTGS2 P35354 7/20 0.57
PTGS1 P23219 4/20 0.57
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
NCOR2 Q9Y618 1/20 0.53
CYP2C9 P11712 2/20 0.49

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
SCHEMBL5674417 0.88 PTGS2 (0.70) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL5858663 0.88 PTGS2 (0.76) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL15346940 0.87 PDPK1 (0.70) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL2695927 0.86 PTGS2 (0.74) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL5676126 0.86 PDPK1 (0.73) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL2695421 0.85 PDPK1 (0.76) PDPK1PTGS2PTGS1CYP2C9
SCHEMBL2696421 0.84 PDPK1 (0.71) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL15347236 0.84 PTGS2 (0.68) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL5673693 0.84 PTGS2 (0.68) PDPK1PTGS2PTGS1HDAC3HDAC4
SCHEMBL15347126 0.84 PTGS2 (0.68) PDPK1PTGS2PTGS1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US claimed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US claimed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP claimed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP claimed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US claimed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 WO claimed
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MRDC 2006-06-29 US disclosed
US-7026346-B2 Compounds and methods for inducing apoptosis in proliferating cells THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-11 US disclosed
EP-1499597-A4 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS UNIV OHIO STATE RES FOUND (US) 2006-01-25 EP disclosed
EP-1499597-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2005-01-26 EP disclosed
US-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells NIH - DEITR 2003-12-25 US disclosed
WO-2003086287-A2 COMPOUNDS AND METHODS FOR INDUCING APOPTOSIS IN PROLIFERATING CELLS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-10-23 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-20030236294-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PDPK1 1127/4885PTGS2 392/4885PTGS1 298/4885
US-20060142368-A1 Compounds and methods for inducing apoptosis in proliferating cells MCL1, BRDT, BAD PDPK1 1250/4885PTGS2 370/4885PTGS1 303/4885

“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.