SCHEMBL6417128

SCHEMBL6417128

CCOC(=O)c1cc(OCc2ccccc2)n(C(=O)OC(C)(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 3/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ TP53 P04637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL14924193 0.78 HTR2A (0.54) KMT2AGAAMAPTGABRA1GABRG2
SCHEMBL6417297 0.76 CYP1A2 (0.40) KMT2AGAAMAPTALDH1A1POLB
SCHEMBL8023407 0.75 ALDH1A1 (0.40) KMT2AGAAMAPTTP53ALDH1A1
SCHEMBL21569169 0.72 HTR2C (0.60) KMT2AGAAMAPTGABRA1GABRG2
SCHEMBL24860270 0.72 KMT2A (0.42) KMT2AGAAMAPTGABRA1GABRG2
SCHEMBL22826520 0.72 ALDH1A1 (0.44) KMT2AGAAMAPTGABRA1GABRG2
SCHEMBL5473092 0.71 ALKBH1 (0.47) KMT2AGABRA1GABRG2GABRB3GABRA5
SCHEMBL13373542 0.71 SMN1; SMN2 (0.56) KMT2AGAAMAPTTP53ALDH1A1
SCHEMBL25753536 0.70 TDP1 (0.51) KMT2AMAPTALDH1A1POLBTDP1
SCHEMBL112672 0.70 MEN1 (0.59) KMT2AMAPTGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AVENTIS PHARMA S. A. (FR) 2005-06-16 — — 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 (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-20050130989-A1 N-arylheteroaromatic products compositions containing them and use thereof AHR, NQO1, ARNT KMT2A 1284/4885GAA 1397/4885MAPT 4098/4885

“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.

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