SCHEMBL4863526

SCHEMBL4863526

CC(C(=O)NN)c1cc(C(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
GABRA4 P48169 1/20 0.47
GABRE P78334 1/20 0.47
GABRA6 Q16445 1/20 0.47
GABRG1 Q8N1C3 1/20 0.47
GABRG3 Q99928 1/20 0.47
GABRQ Q9UN88 1/20 0.47
KDM4C Q9H3R0 9/20 0.45
KDM5C P41229 7/20 0.45
KDM4A O75164 7/20 0.45
KDM5B Q9UGL1 6/20 0.45

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
SCHEMBL17545205 0.80 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1759894 0.79 KDM4C (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25933765 0.77 KDM4C (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25709497 0.76 KDM4C (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21378747 0.74 CYP1A2 (0.55) KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL15745601 0.74 CYP1A2 (0.55) KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL21378793 0.74 CYP1A2 (0.55) KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL23583774 0.73 KDM4C (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30007857 0.73 KDM4E (0.50) KDM4EKDM5AALDH1A1MAPTCYP1A2
SCHEMBL4000772 0.73 KDM4E (0.50) KDM4EKDM5AALDH1A1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361669-B2 Compositions and method for inhibiting TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-04-22 US disclosed
US-20070015815-A1 Hydrazide substrate shuts down protein biosynthesis capability in cells that host a metastatic or malignant disease mechanism DELOACH REUBEN E 2007-01-18 US disclosed
EP-1581222-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-&bgr; MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-10-05 EP disclosed
US-20040157861-A1 Compositions and methods for inhibiting TGF-beta MILLENNIUM PHARMACEUTICALS, INC. 2004-08-12 US disclosed
WO-2004060362-A2 COMPOSITIONS AND METHODS FOR INHIBITING TGF-β MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-22 WO disclosed
EP-1268217-A2 CONTROL OF VOLATILE CARBONYL COMPOUND IN COMPOSITIONS USED IN PRINTING, PRINTING METHODS AND RESULTING PRINTED STRUCTURE Cellresin Technologies, LLC (US) 2003-01-02 EP disclosed
WO-2001069322-A2 CONTROL OF VOLATILE CARBONYL COMPOUND IN COMPOSITIONS USED IN PRINTING, PRINTING METHODS AND RESULTING PRINTED STRUCTURE CELLRESIN TECHNOLOGIES, LLC (US) 2001-09-20 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-20040157861-A1 Compositions and methods for inhibiting TGF-beta TGFB1, TGFB2, TGFBR1 GABRP 3958/4885GABRD 3011/4885GABRA1 3526/4885

“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.