SCHEMBL3974835

SCHEMBL3974835

O=C1[C]c2cc(Br)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.44
CES1 P23141 1/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CMA1 P23946 1/20 0.39
AHR P35869 1/20 0.39
BRD4 O60885 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34
S100A4 P26447 1/20 0.34
LRRK2 Q5S007 3/20 0.33
AKR1B1 P15121 1/20 0.33
METAP2 P50579 1/20 0.33
CHEK1 O14757 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
SCHEMBL7572657 0.76 CA1 (0.40) CA1CA2CA4CA7CA9
SCHEMBL2074190 0.72 ALDH1A1 (0.49) CA1CA2CA4CA7CA9
SCHEMBL302509 0.70 MAOA (0.37) CA1CA2CA4CA7CA9
SCHEMBL8078367 0.66 S100A4 (0.44) TGM2CES1CA1CA2CA4
SCHEMBL28881913 0.65 TGM2 (0.71) TGM2CES1CA1CA2CA4
SCHEMBL11920848 0.65 TGM2 (0.71) TGM2CES1CA1CA2CA4
SCHEMBL1943737 0.64 CA1 (0.36) TGM2CA1CA2CA4CA7
SCHEMBL30972546 0.64 TGM2 (0.77) TGM2CES1MEN1KMT2AHSP90AA1
SCHEMBL31223925 0.63 TGM2 (0.46) TGM2CES1CA1CA2CA4
SCHEMBL31344378 0.63 TGM2 (0.46) TGM2CES1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104170-A1 COMPOUNDS FOR TREATING POLYQ-RELATED NEURODEGENERATIVE DISORDERS HANGZHOU JIJING PHARMACEUTICAL TECHNOLOGY LIMITED (CN) 2023-06-15 WO disclosed
EP-1951215-A4 HYDRAZONE DERIVATIVES AND USES THEREOF REDPOINT BIO CORP (US) 2009-07-29 EP disclosed
EP-1951215-A2 HYDRAZONE DERIVATIVES AND USES THEREOF Redpoint Bio Corporation (US) 2008-08-06 EP disclosed
US-20070207093-A1 Hydrazone derivatives and uses thereof LINQUAGEN CORP. 2007-09-06 US disclosed
WO-2007056159-A2 HYDRAZONE DERIVATIVES AND USES THEREOF REDPOINT BIO CORPORATION (US) 2007-05-18 WO disclosed
US-7205328-B2 Aids viricide IRM LLC (BM) 2007-04-17 US disclosed
US-20040152755-A1 Oxindoles with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-05 US disclosed
WO-2004037247-A1 OXINDOLES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 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-20070207093-A1 Hydrazone derivatives and uses thereof TAS2R1, TAS2R5, TAS1R1 TGM2 2792/4885CES1 2928/4885CA1 214/4885
US-20040152755-A1 Oxindoles with anti-HIV activity IDO1, API5, NFATC1 TGM2 4594/4885CES1 3031/4885CA1 4412/4885

“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.