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Sugi Predict / Compounds / SCHEMBL4329022

SCHEMBL4329022

SCHEMBL4329022

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ GALR3 O60755 1/20 0.42
▸ NR2F2 P24468 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GLA P06280 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RRM2 P31350 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL4329024 1.00 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2POLBCYP3A4CYP2D6
SCHEMBL4338127 0.93 MAPT (0.43) ALDH1A1SMN1; SMN2POLBCYP2C19KMT2A
SCHEMBL4338126 0.93 MAPT (0.43) ALDH1A1SMN1; SMN2POLBCYP2C19KMT2A
SCHEMBL4332065 0.91 KDM4E (0.43) ALDH1A1SMN1; SMN2POLBKMT2AKDM4E
SCHEMBL4332060 0.91 KDM4E (0.43) ALDH1A1SMN1; SMN2POLBKMT2AKDM4E
SCHEMBL4343187 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBKMT2AKDM4E
SCHEMBL4343182 0.90 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2POLBKMT2AKDM4E
SCHEMBL4557106 0.87 MAOB (0.43) ALDH1A1POLBKMT2AKDM4ELMNA
SCHEMBL4557110 0.87 MAOB (0.43) ALDH1A1POLBKMT2AKDM4ELMNA
SCHEMBL4336569 0.85 MAOB (0.43) ALDH1A1POLBCYP2C19RECQLKMT2A

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 6 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

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 1459/4885SMN1; SMN2 4740/4885POLB 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.