SCHEMBL4337985

SCHEMBL4337985

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.49
GPR183 P32249 1/20 0.45
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
PTPN7 P35236 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAOA P21397 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
RAB9A P51151 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL4337981 1.00 TYR (0.49) TYRGPR183HTTMEN1PTPN7
SCHEMBL4324463 0.89 ALDH1A1 (0.46) KMT2APOLBALDH1A1SIGMAR1RAB9A
SCHEMBL4324466 0.89 ALDH1A1 (0.46) KMT2APOLBALDH1A1SIGMAR1RAB9A
SCHEMBL4324030 0.89 TYR (0.49) TYRGPR183HTTMEN1PTPN7
SCHEMBL4324032 0.89 TYR (0.49) TYRGPR183HTTMEN1PTPN7
SCHEMBL4326945 0.89 TYR (0.47) TYRPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4326939 0.89 TYR (0.47) TYRPOLBALDH1A1MAPTSMN1; SMN2
SCHEMBL4463105 0.88 ALDH1A1 (0.53) HTTPOLBALDH1A1KDM4E
SCHEMBL4463099 0.88 ALDH1A1 (0.53) HTTPOLBALDH1A1KDM4E
SCHEMBL4329600 0.87 TYR (0.48) TYRGPR183HTTMEN1PTPN7

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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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 (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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 1808/4885GPR183 3370/4885HTT 2994/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 TYR 2113/4885GPR183 3135/4885HTT 3282/4885

“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.