SCHEMBL4331989

SCHEMBL4331989

COCCNC(=S)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
NPFFR1 Q9GZQ6 2/20 0.52
NPFFR2 Q9Y5X5 2/20 0.52
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
HPGD P15428 3/20 0.50
ALOX12 P18054 1/20 0.50
GAA P10253 3/20 0.48
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 1/20 0.45
PHGDH O43175 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4331998 1.00 MAPT (0.57) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4456170 0.82 MAPT (0.61) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4456174 0.82 MAPT (0.61) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4451550 0.81 PTPN1 (0.66) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4451543 0.81 PTPN1 (0.66) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL4330987 0.79 HKDC1 (0.55) MAPTNPFFR1NPFFR2ALDH1A1LMNA
SCHEMBL4330991 0.79 HKDC1 (0.55) MAPTNPFFR1NPFFR2ALDH1A1LMNA
SCHEMBL4331560 0.79 NPFFR1 (0.66) MAPTKMT2AMEN1NPFFR1NPFFR2
SCHEMBL4331556 0.79 NPFFR1 (0.66) MAPTKMT2AMEN1NPFFR1NPFFR2
SCHEMBL4557417 0.74 NPFFR1 (0.57) MAPTNPFFR1NPFFR2ALDH1A1LMNA

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 5 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

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 MAPT 3619/4885KMT2A 3988/4885MEN1 4874/4885

“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.