SCHEMBL4322326

SCHEMBL4322326

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
NPY2R P49146 1/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TYR P14679 1/20 0.40
MAOB P27338 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL4322322 1.00 MAPK1 (0.41) MAPK1NPY2RPOLBCASP3RAB9A
SCHEMBL4454984 0.96 OPRM1 (0.43) MAPK1NPY2RPOLBCASP3RAB9A
SCHEMBL6439913 0.96 OPRM1 (0.43) MAPK1NPY2RPOLBCASP3RAB9A
SCHEMBL4330472 0.93 PKM (0.45) MAPK1POLBCASP3RAB9ASENP7
SCHEMBL4330475 0.93 PKM (0.45) MAPK1POLBCASP3RAB9ASENP7
SCHEMBL4464680 0.92 CASP3 (0.50) MAPK1POLBCASP3RAB9ASENP7
SCHEMBL4464686 0.92 CASP3 (0.50) MAPK1POLBCASP3RAB9ASENP7
SCHEMBL4322538 0.92 L3MBTL1 (0.49) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4322537 0.92 L3MBTL1 (0.49) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4327179 0.89 HTT (0.44) MAPK1NPY2RPOLBCASP3RAB9A

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 MAPK1 2656/4885NPY2R 4565/4885POLB 3179/4885

“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.