SCHEMBL3385808

SCHEMBL3385808

CC(=O)Nc1ccc2c(c1)c(C(=O)O)c(C)n2Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MAPT P10636 3/20 0.58
GAA P10253 2/20 0.58
PKM P14618 2/20 0.58
ALDH1A1 P00352 1/20 0.58
NPSR1 Q6W5P4 2/20 0.54
LMNA P02545 4/20 0.53
KDM4E B2RXH2 1/20 0.53
PLA2G2A P14555 3/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
GFER P55789 1/20 0.50
NPC1 O15118 2/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
ERCC5 P28715 1/20 0.46

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
SCHEMBL4729244 0.84 NPSR1 (0.76) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL27753752 0.83 MEN1 (0.48) MEN1KMT2AMAPTGAAPKM
SCHEMBL8998155 0.83 PLA2G2A (0.55) MEN1KMT2AMAPTGAAPKM
SCHEMBL290852 0.81 GAA (0.79) MEN1KMT2AMAPTGAAPKM
SCHEMBL805706 0.81 S1PR3 (0.60) MEN1KMT2APPARG
SCHEMBL10778316 0.80 MAPT (0.59) MEN1KMT2AMAPTGAAPKM
SCHEMBL3388126 0.80 PLA2G2A (0.68) MEN1KMT2AMAPTGAAPKM
SCHEMBL612585 0.79 POLB (0.62) MEN1KMT2AMAPTGAAPKM
SCHEMBL9056683 0.79 NPSR1 (0.64) MEN1KMT2AMAPTNPSR1LMNA
SCHEMBL10840421 0.79 PLA2G2A (0.62) MEN1KMT2AMAPTGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP claimed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US claimed
EP-1771424-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP claimed
WO-2006005508-A1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-01-19 WO claimed
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 US claimed
EP-1771424-B1 NOVEL 2,4-DIAMINOTHIAZOL-5-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-15 EP disclosed
US-7737173-B2 Indole-3-carboxylic acid amide, ester, thioamide and thiol ester compounds bearing aryl or heteroaryl groups having sphingosine-1-phosphate (S1P) receptor antagonist biological activity ALLERGAN, INC. (US) 2010-06-15 US disclosed
EP-1984334-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY Allergan, Inc. (US) 2008-10-29 EP disclosed
US-7423053-B2 4-Aminothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-09-09 US disclosed
WO-2007095561-A2 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 2007-08-23 WO disclosed
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY ALLERGAN, INC. 2007-08-16 US disclosed
US-20060014958-A1 4-Aminothiazole derivatives CHEN LI 2006-01-19 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-20060014958-A1 4-Aminothiazole derivatives CDK4, CDK2, CCNI MEN1 3153/4885KMT2A 509/4885MAPT 2328/4885
US-20070191313-A1 INDOLE-3-CARBOXYLIC ACID AMIDE, ESTER, THIOAMIDE AND THIOL ESTER COMPOUNDS BEARING ARYL OR HETEROARYL GROUPS HAVING SPHINGOSINE-1-PHOSPHATE (S1P) RECEPTOR ANTAGONIST BIOLOGICAL ACTIVITY S1PR3, S1PR1, S1PR2 MEN1 4527/4885KMT2A 3030/4885MAPT 4447/4885

“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.