SCHEMBL3688050

SCHEMBL3688050

NC(=S)N1CCN(C(=O)Cn2nc(Br)nc2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 4/20 0.32
CCR1 P32246 2/20 0.32
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3681750 0.84 KMT2A (0.40) KMT2ATSHRTP53POLBMAPT
SCHEMBL3680864 0.77 TSHR (0.69) KMT2ATSHRTP53POLBCCR1
SCHEMBL3687891 0.69 KMT2A (0.62) KMT2ATSHRHSD17B10GAAALDH1A1
SCHEMBL3694308 0.62 TSHR (0.63) KMT2ATSHRTP53POLBMAPT
SCHEMBL5997632 0.61 CA12 (0.44) TSHRTP53MAPTMAPK1HSD17B10
SCHEMBL4421353 0.61
SCHEMBL15988007 0.61 KMT2A (0.48) KMT2APOLBHSD17B10L3MBTL1GAA
SCHEMBL15987832 0.61 KMT2A (0.48) KMT2ATP53POLBMAPTGAA
SCHEMBL15707431 0.60 KMT2A (0.50) KMT2AMAPTMAPK1ALDH1A1
SCHEMBL1458895 0.58 CA12 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
EP-2187748-A2 FUNGICIDAL COMPOUNDS AND MIXTURES E. I. du Pont de Nemours and Company (US) 2010-05-26 EP disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO 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 (1 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 KMT2A 2074/4885TSHR 2769/4885TP53 4055/4885

“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.