SCHEMBL13612323

SCHEMBL13612323

NC(=S)N/N=C/c1cc(F)c(N2CCC(Cc3ccccc3Cl)CC2)cc1N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ATM Q13315 2/20 0.41
HTT P42858 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GFER P55789 1/20 0.41
MAOB P27338 1/20 0.40
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 3/20 0.38
HCRTR1 O43613 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 1/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
GAA P10253 1/20 0.37
ACHE P22303 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
SCHEMBL4327729 0.93 ALDH1A1 (0.49) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL4327721 0.93 ALDH1A1 (0.49) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL13612362 0.87 HTT (0.38) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL4336572 0.87 MAPT (0.42) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL4336576 0.87 MAPT (0.42) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL4329397 0.83 MAPT (0.39) ALDH1A1HTTMAPTSMN1; SMN2GFER
SCHEMBL4329400 0.83 MAPT (0.39) ALDH1A1HTTMAPTSMN1; SMN2GFER
SCHEMBL4337057 0.83 MAOB (0.40) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL4337060 0.83 MAOB (0.40) ALDH1A1ATMHTTMAPTSMN1; SMN2
SCHEMBL4332818 0.80 MCL1 (0.45) ALDH1A1HTTMAPTSMN1; SMN2GFER

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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
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 ALDH1A1 1459/4885ATM 2157/4885HTT 2994/4885

“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.