SCHEMBL7104425

SCHEMBL7104425

O=C(CCCCCNC(=S)Nc1ccncc1)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 16/20 0.63
HDAC1 Q13547 16/20 0.63
HDAC11 Q96DB2 16/20 0.63
HDAC8 Q9BY41 16/20 0.63
HDAC6 Q9UBN7 16/20 0.63
HDAC5 Q9UQL6 16/20 0.63
HDAC3 O15379 15/20 0.63
HDAC2 Q92769 15/20 0.63
HDAC10 Q969S8 15/20 0.63
HDAC7 Q8WUI4 15/20 0.63
HDAC9 Q9UKV0 15/20 0.63
ALDH1A1 P00352 1/20 0.58
MAPT P10636 1/20 0.58
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 1/20 0.54
BRD4 O60885 1/20 0.54
NCOR1 O75376 1/20 0.54
NR1I2 O75469 1/20 0.54

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
SCHEMBL8915063 0.84 CA9 (0.58) ALDH1A1MAPTL3MBTL1
SCHEMBL7966915 0.83 CA9 (0.54) ALDH1A1
SCHEMBL7097969 0.83 EPHX1 (0.64) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL8915308 0.82 CA9 (0.60) ALDH1A1L3MBTL1
SCHEMBL11519940 0.82 ALDH1A1 (0.67) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL7901763 0.80 KMT2A (0.71) ALDH1A1MAPTMAPK1
SCHEMBL7904143 0.80 KMT2A (0.71) ALDH1A1MAPTMAPK1
SCHEMBL3901864 0.79 KMT2A (0.64) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL5279007 0.79 HDAC6 (0.75) HDAC4HDAC1HDAC11HDAC8HDAC6
SCHEMBL5999075 0.79 HDAC1 (0.74) HDAC4HDAC1HDAC11HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES ONXEO DK, BRANCH OF ONXEO S.A., FRANCE (DK) 2014-12-04 US disclosed
US-8871747-B2 Urea and thiourea derivatives TOPOTARGET A/S (DK) 2014-10-28 US disclosed
US-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES MCDERMOTT WILL & EMERY LLP (DC) 2012-01-12 US disclosed
WO-2010023307-A1 NOVEL UREA AND THIOUREA DERIVATIVES TOPOTARGET A/S (DK) 2010-03-04 WO disclosed
EP-0984938-B1 CYANOGUANIDINES AS CELL PROLIFERATION INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-09-10 EP disclosed
US-6346541-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS FOR BREAST, LUNG, AND SKIN CANCER LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2002-02-12 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-20120010172-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT HDAC4 3226/4885HDAC1 1828/4885HDAC11 1576/4885
US-20140357599-A1 NOVEL UREA AND THIOUREA DERIVATIVES TST, NAMPT, NNMT HDAC4 3226/4885HDAC1 1828/4885HDAC11 1576/4885

“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.