SCHEMBL5451448

SCHEMBL5451448

C=CCNC(=O)NC(=S)N1N=CC=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5747843 0.78 LMNA (0.40) ALDH1A1TSHR
SCHEMBL5414507 0.74 ALDH1A1 (0.34) MAPTALDH1A1HTTRAB9AGAA
SCHEMBL5068751 0.69 P2RX4 (0.42) ALDH1A1KMT2ATSHRMEN1
SCHEMBL2979170 0.68 P2RX4 (0.42) KMT2ATSHRMEN1GAA
SCHEMBL7339446 0.68 LMNA (0.40) MAPTALDH1A1KMT2ATSHRMEN1
SCHEMBL7334705 0.68 LMNA (0.51) TSHR
SCHEMBL15865153 0.68 LMNA (0.40) ALDH1A1TSHR
SCHEMBL27285585 0.68 LMNA (0.40) ALDH1A1TSHR
SCHEMBL8423850 0.67 P2RX4 (0.37)
SCHEMBL7775720 0.66 KMT2A (0.67) KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2007-02-01 US disclosed
US-6858605-B2 Substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. (HU) 2005-02-22 US disclosed
US-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives IVAX DRUG RESEARCH INSTITUTE, LTD. 2004-08-05 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 (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-20040152693-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 MAPT 967/4885KDM4E 1878/4885ALDH1A1 844/4885
US-20070027143-A1 Novel substituted 2,3-benzodiazepine derivatives GABRB2, GABRB3, GABRA2 MAPT 967/4885KDM4E 1878/4885ALDH1A1 844/4885

“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.