SCHEMBL4329569

SCHEMBL4329569

NC(=S)NN=CC1CCCCN1Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX12 P18054 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HCRTR1 O43613 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
SPHK2 Q9NRA0 1/20 0.39
SPHK1 Q9NYA1 1/20 0.39
CTSL P07711 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
SCHEMBL4329562 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL4329557 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EGAATSHRHTT
SCHEMBL4326605 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2ALOX12
SCHEMBL4326601 0.89 ALDH1A1 (0.38) ALDH1A1KDM4EGAASMN1; SMN2ALOX12
SCHEMBL4334450 0.87 TYR (0.41) ALDH1A1HTTSMN1; SMN2ALOX12NPSR1
SCHEMBL4334459 0.87 TYR (0.41) ALDH1A1HTTSMN1; SMN2ALOX12NPSR1
SCHEMBL4334453 0.87 TYR (0.41) ALDH1A1HTTSMN1; SMN2ALOX12NPSR1
SCHEMBL4344632 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL4344643 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2KMT2A
SCHEMBL4344637 0.86 ALDH1A1 (0.48) ALDH1A1KDM4EGAASMN1; SMN2KMT2A

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 ALDH1A1 1459/4885KDM4E 3010/4885GAA 2113/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885KDM4E 2338/4885GAA 2263/4885

“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.