SCHEMBL4334592

SCHEMBL4334592

S=C(NCc1cccnc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.56
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 6/20 0.56
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
POLB P06746 4/20 0.56
NPSR1 Q6W5P4 3/20 0.56
GAA P10253 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
HTT P42858 1/20 0.56
TP53 P04637 1/20 0.56
PHGDH O43175 2/20 0.53
HPGD P15428 5/20 0.52
MAPK1 P28482 2/20 0.52
ALOX12 P18054 2/20 0.50
LDHA P00338 1/20 0.50

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
SCHEMBL4334596 1.00 MAPT (0.56) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4329114 0.90 PHGDH (0.61) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4329121 0.90 PHGDH (0.61) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL12879871 0.90 PHGDH (0.56) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4329425 0.89 PHGDH (0.53) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4329432 0.89 PHGDH (0.53) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4333824 0.89 ALDH1A1 (0.58) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4331905 0.89 PHGDH (0.53) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4331912 0.89 PHGDH (0.53) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4333821 0.89 ALDH1A1 (0.58) MAPTALDH1A1KDM4ELMNASMN1; 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 7 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-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 MAPT 3619/4885ALDH1A1 1459/4885KDM4E 3010/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAPT 3876/4885ALDH1A1 1173/4885KDM4E 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.