Sugi Predict

Sugi Predict / Compounds / SCHEMBL4322211

SCHEMBL4322211

SCHEMBL4322211

CN1CCN(c2cc(N3CCC(c4ccc(C(F)(F)F)cc4)CC3)c(F)cc2/C=N/NC(N)=S)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MCL1 Q07820 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAOB P27338 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ AOC3 Q16853 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.34
▸ XBP1 P17861 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL4322214 1.00 ALDH1A1 (0.43) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4326813 0.91 MCL1 (0.47) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4326810 0.91 MCL1 (0.47) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4457805 0.91 DRD2 (0.41) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4457808 0.91 DRD2 (0.41) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4338614 0.89 ALDH1A1 (0.42) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4338612 0.89 ALDH1A1 (0.42) ALDH1A1LMNAMCL1POLBMAOB
SCHEMBL4322348 0.89 MAOB (0.44) ALDH1A1MCL1POLBMAOBMAPT
SCHEMBL4329124 0.89 MAOB (0.44) ALDH1A1MCL1POLBMAOBMAPT
SCHEMBL4329395 0.88 ALDH1A1 (0.40) ALDH1A1LMNAMAOBAOC3KMT2A

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-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 1459/4885LMNA 4884/4885MCL1 354/4885

“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.