SCHEMBL4557110

SCHEMBL4557110

NC(=S)NN=Cc1cc(F)c(N2CCN(Cc3ccc(F)cc3)CC2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
POLB P06746 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
NPY2R P49146 1/20 0.40
TYR P14679 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
PHGDH O43175 1/20 0.39
MAPT P10636 1/20 0.39
OPRL1 P41146 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4557106 1.00 MAOB (0.43) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4337997 0.96 OPRM1 (0.43) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4338004 0.96 OPRM1 (0.43) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4329460 0.93 PKM (0.47) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4329465 0.93 PKM (0.47) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4330305 0.92 POLB (0.52) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4330311 0.92 POLB (0.52) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4325311 0.92 L3MBTL1 (0.52) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4325307 0.92 L3MBTL1 (0.52) MAOBPOLBCASP3RAB9ASENP7
SCHEMBL4331891 0.90 HTT (0.42) MAOBPOLBCASP3RAB9ASENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 US disclosed
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2005-03-31 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-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885POLB 3934/4885CASP3 2177/4885

“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.