Sugi Predict

Sugi Predict / Compounds / SCHEMBL4332816

SCHEMBL4332816

SCHEMBL4332816

CN1CCN(c2cc(N3CCC(Cc4ccc(F)cc4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ TYR P14679 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ STAT3 P40763 1/20 0.34

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
SCHEMBL4332818 1.00 MCL1 (0.45) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4336576 0.93 MAPT (0.42) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4336572 0.93 MAPT (0.42) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4337057 0.89 MAOB (0.40) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4337060 0.89 MAOB (0.40) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4341427 0.87 LPL (0.37) MCL1POLBMAPTMAOBKMT2A
SCHEMBL4341429 0.87 LPL (0.37) MCL1POLBMAPTMAOBKMT2A
SCHEMBL4326810 0.86 MCL1 (0.47) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4326813 0.86 MCL1 (0.47) MCL1POLBMAPTALDH1A1MAOB
SCHEMBL4329124 0.81 MAOB (0.44) MCL1POLBMAPTALDH1A1MAOB

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-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 MCL1 354/4885POLB 3179/4885MAPT 3619/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MCL1 594/4885POLB 3934/4885MAPT 3876/4885

“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.