Sugi Predict

Sugi Predict / Compounds / SCHEMBL4330356

SCHEMBL4330356

SCHEMBL4330356

NC(=S)N/N=C/c1cc(F)c(N2CCN(Cc3ccccc3Cl)CC2)cc1N1CCN(C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLA2G1B P04054 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ATG4B Q9Y4P1 1/20 0.40
▸ CXCR4 P61073 1/20 0.39
▸ MAOB P27338 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TOP2B Q02880 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SOS1 Q07889 1/20 0.36

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
SCHEMBL4330358 1.00 ALDH1A1 (0.47) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL13887174 0.93 MAOB (0.41) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4338788 0.91 ALDH1A1 (0.45) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4338784 0.91 ALDH1A1 (0.45) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4343260 0.91 ALDH1A1 (0.45) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4343256 0.91 ALDH1A1 (0.45) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4322198 0.90 ALDH1A1 (0.46) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4322201 0.90 ALDH1A1 (0.46) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4323258 0.88 ALDH1A1 (0.43) ALDH1A1HTTKDM4EMAPTSMN1; SMN2
SCHEMBL4323257 0.88 ALDH1A1 (0.43) ALDH1A1HTTKDM4EMAPTSMN1; SMN2

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 4 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-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 ALDH1A1 1459/4885HTT 2994/4885KDM4E 3010/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885HTT 3282/4885KDM4E 2338/4885

“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.