SCHEMBL3140047

SCHEMBL3140047

[N-]=[N+]=C(C(=O)O)c1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP1A2 P05177 1/20 0.46
GSK3B P49841 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
HAO1 Q9UJM8 1/20 0.42
OGG1 O15527 1/20 0.41
AKR1C3 P42330 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL993397 0.80 CES1 (0.46) CES2CES1CA1CA2LMNA
SCHEMBL28464639 0.79 ALDH1A1 (0.52) CES2CES1GSK3BAKR1C3LMNA
SCHEMBL5961932 0.79 ALOX15 (0.52) CES2CES1GSK3BCA1CA2
SCHEMBL17801512 0.78 SMN1; SMN2 (0.50) CYP1A2GSK3BHAO1LMNAALDH1A1
SCHEMBL1702960 0.77 MEN1 (0.44) CES2CES1CYP1A2GSK3BCA1
SCHEMBL28590990 0.75 CA2 (0.50) GSK3BCA1CA2LMNAALDH1A1
SCHEMBL2162369 0.75 CES2 (0.53) CES2CES1GSK3BCYP1B1MEN1
SCHEMBL28400743 0.75 CA1 (0.57) CES2CES1CYP1A2GSK3BCA1
SCHEMBL17542156 0.73 ALDH1A1 (0.42) CES2CES1CYP1A2GSK3BOGG1
SCHEMBL21836881 0.73 RAB9A (0.39) CES2CES1GSK3BCA1CA2

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
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2022-04-12 US disclosed
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2021-01-28 US disclosed
US-10875848-B2 Inhibiting fatty acid synthase (FASN) FORMA THERAPEUTICS, INC. (US) 2020-12-29 US disclosed
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2020-04-16 US disclosed
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 EP disclosed
US-20100197514-A1 PROTEIN CRYSTAL OF HUMAN CYTOCHROME P450 AROMATASE AND USES THEREOF HAUPTMAN-WOODWARD MEDICAL RESEARCH INSTITUTE, INC. (US) 2010-08-05 US disclosed
US-7687252-B2 Protein crystal of human cytochrome P450 aromatase and uses thereof Hauptman-Woodward Medcial Research Institute, Inc. (US) 2010-03-30 US disclosed
US-20090204378-A1 PROTEIN CRYSTAL OF HUMAN CYTOCHROME P450 AROMATASE AND USES THEREOF HAUPTMAN-WOODWARD MEDICAL RESEARCH INSTITUTE, INC. (US) 2009-08-13 US disclosed
WO-2009061859-A2 PROTEIN CRYSTAL OF HUMAN CYTOCHROME P450 AROMATASE AND USES THEREOF HAUPTMAN-WOODWARD MEDICAL RESEARCH INSTITUTE, INC. (US) 2009-05-14 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 (4 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-10875848-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 CES2 353/4885CES1 49/4885CYP1A2 1824/4885
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 CES2 353/4885CES1 49/4885CYP1A2 1824/4885
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 CES2 353/4885CES1 49/4885CYP1A2 1824/4885
US-11299484-B2 Inhibiting fatty acid synthase (FASN) FASN, SCD, FADS1 CES2 353/4885CES1 49/4885CYP1A2 1824/4885

“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.