SCHEMBL4330646

SCHEMBL4330646

NC(=S)N/N=C/c1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ALOX12 P18054 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
HCRTR1 O43613 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PKM P14618 1/20 0.42
CACNA1G O43497 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39
NPY2R P49146 1/20 0.39
MAOB P27338 1/20 0.39
FAAH O00519 1/20 0.39

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
SCHEMBL4330651 1.00 ALDH1A1 (0.48) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4322538 0.91 L3MBTL1 (0.49) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4322537 0.91 L3MBTL1 (0.49) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4330475 0.90 PKM (0.45) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4330472 0.90 PKM (0.45) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4327179 0.89 HTT (0.44) ALDH1A1ALOX12NPSR1KMT2ASIGMAR1
SCHEMBL4327182 0.89 HTT (0.44) ALDH1A1ALOX12NPSR1KMT2ASIGMAR1
SCHEMBL4327830 0.88 L3MBTL1 (0.46) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4322284 0.88 ALDH1A1 (0.48) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2
SCHEMBL4322300 0.88 ALDH1A1 (0.48) ALDH1A1ALOX12NPSR1HCRTR1CYP1A2

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 ALDH1A1 1459/4885ALOX12 1149/4885NPSR1 4026/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885ALOX12 952/4885NPSR1 3492/4885

“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.