SCHEMBL4146071

SCHEMBL4146071

CNc1nccc2ccc(C(=O)C(C)(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.43
ACACA Q13085 6/20 0.43
HIPK2 Q9H2X6 2/20 0.40
CSNK2A1 P68400 1/20 0.40
PLAU P00749 1/20 0.39
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
F10 P00742 3/20 0.35
LMNA P02545 1/20 0.34
CNR2 P34972 1/20 0.34
HCAR3 P49019 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
SCHEMBL4146085 0.89 HIPK2 (0.45) ACACBACACAHIPK2CSNK2A1CNR2
SCHEMBL2671305 0.84 PLAU (0.55) ACACBACACAHIPK2CSNK2A1PLAU
SCHEMBL4403662 0.80 HDAC3 (0.40) ACACBACACAHIPK2CSNK2A1PLAU
SCHEMBL4145126 0.77 ACACB (0.43) ACACBACACAHIPK2CSNK2A1PLAU
SCHEMBL2671186 0.77 ALDH1A1 (0.48)
SCHEMBL2671562 0.74 PLAU (0.51) ACACBACACAPLAUHDAC3HDAC1
SCHEMBL12663945 0.72 PROKR1 (0.42) HCAR3
SCHEMBL30204784 0.72 CSNK2A1 (0.48) ACACBACACAHIPK2CSNK2A1PLAU
SCHEMBL4407780 0.72 ALDH1A1 (0.49) ACACBACACAHIPK2CSNK2A1HCAR3
SCHEMBL2671657 0.72 CSNK2A1 (0.48) ACACBACACAHIPK2CSNK2A1PLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 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 (3 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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HIPK2 4621/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HIPK2 4621/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HIPK2 4621/4885

“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.