SCHEMBL4337977

SCHEMBL4337977

NC(=S)NN=Cc1ccc(CN2CCN(c3cccc(Cl)c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
ALDH1A1 P00352 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 2/20 0.48
TSHR P16473 1/20 0.48
MAOA P21397 1/20 0.47
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
THRB P10828 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL4337975 1.00 PKM (0.50) PKMALDH1A1CA1CA2CA7
SCHEMBL4331962 0.92 MAPT (0.52) PKMALDH1A1CA1CA2CA7
SCHEMBL4331967 0.92 MAPT (0.52) PKMALDH1A1CA1CA2CA7
SCHEMBL4334400 0.92 CA1 (0.53) PKMALDH1A1CA1CA2CA7
SCHEMBL4334397 0.92 CA1 (0.53) PKMALDH1A1CA1CA2CA7
SCHEMBL4326789 0.84 CTSL (0.51) PKMALDH1A1MAPTHTR1AHTR7
SCHEMBL4326785 0.84 CTSL (0.51) PKMALDH1A1MAPTHTR1AHTR7
SCHEMBL4331926 0.84 PKM (0.46) PKMALDH1A1MAPTTSHRLMNA
SCHEMBL4331921 0.84 PKM (0.46) PKMALDH1A1MAPTTSHRLMNA
SCHEMBL4341482 0.84 CA2 (0.63) ALDH1A1CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 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 (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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 PKM 4105/4885ALDH1A1 1459/4885CA1 4212/4885

“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.