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Sugi Predict / Compounds / SCHEMBL4327787

SCHEMBL4327787

SCHEMBL4327787

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccccc3OC(F)(F)F)CC2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ABCB1 P08183 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HTR7 P34969 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
SCHEMBL4327789 1.00 MAOB (0.41) MAOBALDH1A1KMT2AKDM4ECHRM4
SCHEMBL4336330 0.89 KDM4E (0.49) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4336338 0.89 KDM4E (0.49) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4324288 0.87 MAOB (0.50) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4324284 0.87 MAOB (0.50) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4332910 0.86 MAOB (0.43) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4332913 0.86 MAOB (0.43) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4336926 0.86 MAOB (0.39) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4336929 0.86 MAOB (0.39) MAOBALDH1A1KMT2AKDM4EGAA
SCHEMBL4343187 0.84 ALDH1A1 (0.48) MAOBALDH1A1KMT2AKDM4EGAA

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 7 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
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-7521062-B2 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES & DIAGNOSTICS, INC. (US) 2009-04-21 — — 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 MAOB 2762/4885ALDH1A1 1459/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885ALDH1A1 1173/4885KMT2A 3714/4885

“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.