SCHEMBL5803379

SCHEMBL5803379

NC(C(=O)NC1C=CC(=NN2CCCC2)C=C1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
KDM4E B2RXH2 7/20 0.37
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 5/20 0.37
TDP1 Q9NUW8 5/20 0.37
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
HPGD P15428 4/20 0.37
CYP3A4 P08684 3/20 0.37
MEN1 O00255 3/20 0.37
SLC15A2 Q16348 3/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 1/20 0.37
NR1I2 O75469 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL5803044 0.76 KMT2A (0.35) TSHRKDM4EMAPTKMT2AHPGD
SCHEMBL5801604 0.76 KCNH2 (0.33) ALDH1A1KMT2AMEN1POLB
SCHEMBL5803407 0.74 KCNH2 (0.33) ALDH1A1KMT2AMEN1POLB
SCHEMBL5799203 0.73
SCHEMBL5912974 0.72 POLB (0.36) TSHRKDM4EALDH1A1MAPTLMNA
SCHEMBL5803384 0.70 GLS (0.37) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL998303 0.67 TSHR (0.50) TSHRKDM4EALDH1A1MAPTKMT2A
SCHEMBL4154774 0.67 TSHR (0.50) TSHRKDM4EALDH1A1MAPTKMT2A
SCHEMBL21237659 0.67 TSHR (0.61) TSHRALDH1A1TDP1KMT2AHPGD
SCHEMBL6529716 0.67 TSHR (0.61) TSHRALDH1A1TDP1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160790-A1 Thioureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2006-07-20 US disclosed
WO-2006063293-A2 THIOUREAS AS FACTOR Xa INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 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-20060160790-A1 Thioureas as factor Xa inhibitors TFPI, TFPI2, F12 TSHR 428/4885KDM4E 3419/4885ALDH1A1 633/4885

“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.