SCHEMBL3185281

SCHEMBL3185281

COC(=O)c1sccc1Oc1ccnc(Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.52
MEN1 O00255 5/20 0.50
CYP1A2 P05177 2/20 0.50
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 2/20 0.40
MAPK10 P53779 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX3 P56373 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EDNRA P25101 1/20 0.39
RAB9A P51151 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
SCHEMBL3174258 0.77 ALDH1A1 (0.44) KMT2AMEN1CYP1A2ALDH1A1MAPT
SCHEMBL13209147 0.74 ALDH1A1 (0.51) KMT2AMEN1CYP1A2ALDH1A1HSD17B10
SCHEMBL2671010 0.73 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1MAPK1MAPT
SCHEMBL2670904 0.72 ALDH1A1 (0.46) KMT2AALDH1A1POLBMAPTUSP2
SCHEMBL922692 0.71 KMT2A (0.69) KMT2AMEN1CYP1A2ALDH1A1MAPK10
SCHEMBL13533601 0.71 KEAP1 (0.33)
SCHEMBL28047001 0.70 ALDH1A1 (0.52) KMT2AMEN1CYP1A2ALDH1A1MAPK1
SCHEMBL2994110 0.70 ALDH1A1 (0.52) KMT2AMEN1CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4331526 0.69 KMT2A (1.00) KMT2AMEN1CYP1A2ALDH1A1MAPK10
SCHEMBL10630642 0.69 KMT2A (0.61) KMT2AMEN1CYP1A2ALDH1A1MAPK10

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 KMT2A 1304/4885MEN1 3856/4885CYP1A2 84/4885

“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.