SCHEMBL4322908

SCHEMBL4322908

NC(=S)NN=Cc1ccc(N2CCN(Cc3ccccc3F)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ABCB1 P08183 1/20 0.45
HPGD P15428 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
NPY2R P49146 1/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PHGDH O43175 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL4322906 1.00 MAOB (0.46) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4330659 0.91 ALDH1A1 (0.50) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4330663 0.91 ALDH1A1 (0.50) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4338108 0.91 MAOB (0.43) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4326722 0.91 ALDH1A1 (0.49) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4326719 0.91 ALDH1A1 (0.49) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4338105 0.91 MAOB (0.43) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4336286 0.90 NPY2R (0.42) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4341440 0.90 ALDH1A1 (0.42) MAOBALDH1A1SMN1; SMN2ABCB1HPGD
SCHEMBL4336282 0.90 NPY2R (0.42) MAOBALDH1A1SMN1; SMN2ABCB1HPGD

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 3 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-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 MAOB 2762/4885ALDH1A1 1459/4885SMN1; SMN2 4740/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 MAOB 3093/4885ALDH1A1 1173/4885SMN1; SMN2 4815/4885

“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.