SCHEMBL3174258

SCHEMBL3174258

COC(=O)c1sccc1Oc1ccnc(N2CCOCC2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 4/20 0.43
MAPK14 Q16539 6/20 0.42
MTOR P42345 5/20 0.42
CYP1A2 P05177 2/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL3261056 0.88 PIK3CA (0.43) KMT2AMAPK14MTORNPSR1PIK3CA
SCHEMBL3190459 0.87 HTT (0.40) KMT2AMAPK14MTORNPSR1PIK3CA
SCHEMBL13533581 0.81 MTOR (0.42) KMT2AMAPK14MTORCYP1A2CYP2C19
SCHEMBL3185281 0.77 KMT2A (0.52) ALDH1A1KMT2ACYP1A2CYP2C19NPSR1
SCHEMBL13533603 0.77 MTOR (0.40) KMT2AMAPK14MTORMEN1PIK3CA
SCHEMBL3184059 0.76 PIK3CA (0.41) MAPK14MTORPIK3CA
SCHEMBL20745726 0.75 CRBN (0.53) ALDH1A1KMT2AMTORCYP1A2PKM
SCHEMBL6650527 0.73 HCRTR1 (0.49) ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL6650987 0.72 HCRTR1 (0.48) ALDH1A1NPSR1
SCHEMBL1600136 0.72 MAPK14 (0.61) MAPK14MTORCYP1A2CYP2C19MAPT

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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
EP-1970375-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. (JP) 2008-09-17 EP 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-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 ALDH1A1 250/4885KMT2A 1304/4885MAPK14 500/4885

“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.