SCHEMBL4331739

SCHEMBL4331739

Cc1ccccc1CN1CCN(c2c(F)cc(C=NNC(N)=S)cc2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 4/20 0.45
ALOX12 P18054 2/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
RRM2 P31350 1/20 0.41
ABCB1 P08183 1/20 0.41
HPGD P15428 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 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
SCHEMBL4331737 1.00 ALDH1A1 (0.45) ALDH1A1MAPTLMNAALOX12GAA
SCHEMBL4331351 0.91 KMT2A (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4331357 0.91 KMT2A (0.47) ALDH1A1MAPTLMNASMN1; SMN2KMT2A
SCHEMBL4338105 0.89 MAOB (0.43) ALDH1A1MAPTLMNAALOX12GAA
SCHEMBL4338108 0.89 MAOB (0.43) ALDH1A1MAPTLMNAALOX12GAA
SCHEMBL4329441 0.88 MAPT (0.46) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL4329438 0.88 MAPT (0.46) ALDH1A1MAPTLMNAGAANPSR1
SCHEMBL4331668 0.88 MAPT (0.52) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL4331664 0.88 MAPT (0.52) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL13611676 0.86 L3MBTL1 (0.47) ALDH1A1LMNAMAOBHPGDPOLB

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 1459/4885MAPT 3619/4885LMNA 4884/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 ALDH1A1 1173/4885MAPT 3876/4885LMNA 4885/4885

“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.