SCHEMBL3490822

SCHEMBL3490822

NC(=S)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.79
ALDH1A1 P00352 6/20 0.79
MEN1 O00255 7/20 0.67
KMT2A Q03164 7/20 0.67
MAPT P10636 7/20 0.67
LMNA P02545 5/20 0.67
NPSR1 Q6W5P4 5/20 0.64
HPGD P15428 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HTT P42858 2/20 0.64
ALOX12 P18054 2/20 0.63
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPC1 O15118 2/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.58

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
SCHEMBL30460578 1.00 KDM4E (0.79) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL3490823 1.00 KDM4E (0.79) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4331131 0.86 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL13611593 0.86 KDM4E (0.69) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4325470 0.85 MAPT (0.70) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4325467 0.85 MAPT (0.70) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4340043 0.84 MAPT (0.72) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4340042 0.84 MAPT (0.72) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4343479 0.84 ALDH1A1 (0.71) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL13611582 0.84 ALDH1A1 (0.71) KDM4EALDH1A1MEN1KMT2AMAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8486863-B2 Activators of lateral root formation VIB VZW (BE) 2013-07-16 US claimed
US-20100105561-A1 ACTIVATORS OF LATERAL ROOT FORMATION UNIVERSITEIT GENT (BE) 2010-04-29 US claimed
EP-2094082-A2 ACTIVATORS OF LATERAL ROOT FORMATION VIB VZW (BE) 2009-09-02 EP claimed
WO-2008062035-A2 ACTIVATORS OF LATERAL ROOT FORMATION VIB VZW (BE) 2008-05-29 WO claimed
US-8486863-B2 Activators of lateral root formation VIB VZW (BE) 2013-07-16 US disclosed
US-8486863-B2 Activators of lateral root formation VIB VZW (BE) 2013-07-16 US disclosed
US-20100105561-A1 ACTIVATORS OF LATERAL ROOT FORMATION UNIVERSITEIT GENT (BE) 2010-04-29 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-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2009-11-19 US disclosed
EP-2094082-A2 ACTIVATORS OF LATERAL ROOT FORMATION VIB VZW (BE) 2009-09-02 EP 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
WO-2008062035-A2 ACTIVATORS OF LATERAL ROOT FORMATION VIB VZW (BE) 2008-05-29 WO 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 (3 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-20100105561-A1 ACTIVATORS OF LATERAL ROOT FORMATION CROCC, ARFIP2, RALA KDM4E 2790/4885ALDH1A1 3385/4885MEN1 4776/4885
US-20090285849-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 3010/4885ALDH1A1 1459/4885MEN1 4874/4885
US-20050069555-A1 Thiosemicarbazones as anti-virals and immunopotentiators MAVS, IRF3, HAVCR2 KDM4E 2338/4885ALDH1A1 1173/4885MEN1 4872/4885

“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.