Sugi Predict

Sugi Predict / Compounds / SCHEMBL4337997

SCHEMBL4337997

SCHEMBL4337997

NC(=S)N/N=C/c1cc(F)c(N2CCCN(Cc3ccc(F)cc3)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ MAOB P27338 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TYR P14679 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PHGDH O43175 1/20 0.37
▸ OPRL1 P41146 1/20 0.37
▸ MAPT P10636 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
SCHEMBL4338004 1.00 OPRM1 (0.43) OPRM1OPRK1POLBCASP3RAB9A
SCHEMBL4557106 0.96 MAOB (0.43) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4557110 0.96 MAOB (0.43) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4331060 0.92 L3MBTL1 (0.48) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4331055 0.92 L3MBTL1 (0.48) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4329465 0.89 PKM (0.47) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4329460 0.89 PKM (0.47) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4330311 0.88 POLB (0.52) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4330305 0.88 POLB (0.52) POLBCASP3RAB9ASENP7SENP6
SCHEMBL4325307 0.88 L3MBTL1 (0.52) POLBCASP3RAB9ASENP7SENP6

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 OPRM1 1674/4885OPRK1 2761/4885POLB 3179/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 OPRM1 1980/4885OPRK1 2663/4885POLB 3934/4885

“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.