SCHEMBL4336330

SCHEMBL4336330

COc1ccccc1CN1CCN(c2cc(F)c(/C=N/NC(N)=S)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 5/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTR7 P34969 2/20 0.46
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 3/20 0.45
TDP1 Q9NUW8 3/20 0.44
POLB P06746 2/20 0.44
GAA P10253 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
SCHEMBL4336338 1.00 KDM4E (0.49) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4327789 0.89 MAOB (0.41) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4327787 0.89 MAOB (0.41) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4324288 0.89 MAOB (0.50) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4324284 0.89 MAOB (0.50) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4331813 0.88 MAPT (0.55) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4331806 0.88 MAPT (0.55) KDM4EALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL4323793 0.88 MAOB (0.45) KDM4EALDH1A1KMT2AMAPTHTR7
SCHEMBL4323796 0.88 MAOB (0.45) KDM4EALDH1A1KMT2AMAPTHTR7
SCHEMBL4329805 0.87 KDM4E (0.47) KDM4EALDH1A1KMT2AMAPTSMN1; 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 KDM4E 3010/4885ALDH1A1 1459/4885KMT2A 3988/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885ALDH1A1 1173/4885KMT2A 3714/4885

“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.