SCHEMBL4331357

SCHEMBL4331357

NC(=S)NN=Cc1cc(F)c(N2CCN(Cc3ccccc3F)CC2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 2/20 0.46
MAOB P27338 2/20 0.45
RRM2 P31350 1/20 0.42
ABCB1 P08183 1/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
CYP2A13 Q16696 1/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PHGDH O43175 1/20 0.40

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
SCHEMBL4331351 1.00 KMT2A (0.47) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4331737 0.91 ALDH1A1 (0.45) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4329438 0.91 MAPT (0.46) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4329441 0.91 MAPT (0.46) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4331739 0.91 ALDH1A1 (0.45) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL13611676 0.88 L3MBTL1 (0.47) ALDH1A1LMNAPOLBMAOBHPGD
SCHEMBL4331664 0.88 MAPT (0.52) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4331668 0.88 MAPT (0.52) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4322908 0.88 MAOB (0.46) KMT2AALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4322906 0.88 MAOB (0.46) KMT2AALDH1A1SMN1; SMN2MEN1LMNA

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 KMT2A 3988/4885ALDH1A1 1459/4885SMN1; SMN2 4740/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KMT2A 3714/4885ALDH1A1 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.